 | | UYM | | Name: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione | | Formula: | C22 H20 N4 O2 | | SMILES: | n4cc(CC3C(NC(Cc2c1c(cccc1)nc2)C(=O)N3)=O)c5c4cccc5 | | InChi: | InChI=1S/C22H20N4O2/c27-21-19(9-13-11-23-17-7-3-1-5-15(13)17)25-22(28)20(26-21)10-14-12-24-18-8-4-2-6-16(14)18/h1-8,11-12,19-20,23-24H,9-10H2,(H,25,28)(H,26,27)/t19-,20-/m0/s1 | | Definition date: | 2020-06-05 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione |
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 | | UZS | | Name: | N-hydroxy-7-sulfanylheptanamide | | Formula: | C7 H15 N O2 S | | SMILES: | ONC(CCCCCCS)=O | | InChi: | InChI=1S/C7H15NO2S/c9-7(8-10)5-3-1-2-4-6-11/h10-11H,1-6H2,(H,8,9) | | Definition date: | 2020-06-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | N-hydroxy-7-sulfanylheptanamide |
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 | | V0A | | Name: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione | | Formula: | C22 H27 N O5 | | SMILES: | C2(C)C1CC=C(C(O1)(C)OC2C(C)[C@H]=C(C)[C@H]=[C@H]/C(O)=C3/C(C=NC3=O)=O)C | | InChi: | InChI=1S/C22H27NO5/c1-12(6-8-16(24)19-17(25)11-23-21(19)26)10-13(2)20-15(4)18-9-7-14(3)22(5,27-18)28-20/h6-8,10-11,13,15,18,20,24H,9H2,1-5H3/b8-6+,12-10+,19-16+/t13-,15+,18-,20-,22-/m1/s1 | | Synonyms: | Tirandamycin C | | Definition date: | 2020-06-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (3E)-3-{(2E,4E,6R)-1-hydroxy-4-methyl-6-[(1R,3R,4S,5R)-1,4,8-trimethyl-2,9-dioxabicyclo[3.3.1]non-7-en-3-yl]hepta-2,4-dien-1-ylidene}-2H-pyrrole-2,4(3H)-dione |
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 | | V0W | | Name: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane | | Formula: | C13 H20 N2 O2 S | | SMILES: | CN1CCCN(CC1)[S](=O)(=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C13H20N2O2S/c1-12-4-6-13(7-5-12)18(16,17)15-9-3-8-14(2)10-11-15/h4-7H,3,8-11H2,1-2H3 | | Definition date: | 2021-04-01 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 1-methyl-4-(4-methylphenyl)sulfonyl-1,4-diazepane |
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 | | V1E | | Name: | ~{N},~{N},4-trimethylbenzenesulfonamide | | Formula: | C9 H13 N O2 S | | SMILES: | CN(C)[S](=O)(=O)c1ccc(C)cc1 | | InChi: | InChI=1S/C9H13NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4-7H,1-3H3 | | Definition date: | 2021-04-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | ~{N},~{N},4-trimethylbenzenesulfonamide |
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 | | V1H | | Name: | 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine | | Formula: | C11 H15 N O3 S | | SMILES: | COC1CN(C1)[S](=O)(=O)c2ccc(C)cc2 | | InChi: | InChI=1S/C11H15NO3S/c1-9-3-5-11(6-4-9)16(13,14)12-7-10(8-12)15-2/h3-6,10H,7-8H2,1-2H3 | | Definition date: | 2021-04-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 3-methoxy-1-(4-methylphenyl)sulfonyl-azetidine |
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 | | V1K | | Name: | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole | | Formula: | C15 H13 Cl N2 O3 S | | SMILES: | COc1ccc2nc(Cl)n(c2c1)[S](=O)(=O)c3ccc(C)cc3 | | InChi: | InChI=1S/C15H13ClN2O3S/c1-10-3-6-12(7-4-10)22(19,20)18-14-9-11(21-2)5-8-13(14)17-15(18)16/h3-9H,1-2H3 | | Definition date: | 2021-04-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 2-chloranyl-6-methoxy-1-(4-methylphenyl)sulfonyl-benzimidazole |
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 | | V1Q | | Name: | 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide | | Formula: | C11 H13 N3 O2 S | | SMILES: | Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1 | | InChi: | InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13) | | Definition date: | 2021-04-06 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide |
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 | | V2E | | Name: | 3-morpholin-4-yl-4-nitro-benzaldehyde | | Formula: | C11 H12 N2 O4 | | SMILES: | [O-][N+](=O)c1ccc(C=O)cc1N2CCOCC2 | | InChi: | InChI=1S/C11H12N2O4/c14-8-9-1-2-10(13(15)16)11(7-9)12-3-5-17-6-4-12/h1-2,7-8H,3-6H2 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 3-morpholin-4-yl-4-nitro-benzaldehyde |
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 | | V2K | | Name: | 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde | | Formula: | C16 H14 N2 O2 | | SMILES: | COc1ccc2n(c(C)nc2c1)c3ccc(C=O)cc3 | | InChi: | InChI=1S/C16H14N2O2/c1-11-17-15-9-14(20-2)7-8-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(5-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde |
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 | | V2N | | Name: | 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde | | Formula: | C16 H14 N2 O2 | | SMILES: | COc1ccc2nc(C)n(c3ccc(C=O)cc3)c2c1 | | InChi: | InChI=1S/C16H14N2O2/c1-11-17-15-8-7-14(20-2)9-16(15)18(11)13-5-3-12(10-19)4-6-13/h3-10H,1-2H3 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(6-methoxy-2-methyl-benzimidazol-1-yl)benzaldehyde |
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 | | V2Q | | Name: | 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde | | Formula: | C12 H13 N O3 | | SMILES: | COC1CN(C1)C(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C12H13NO3/c1-16-11-6-13(7-11)12(15)10-4-2-9(8-14)3-5-10/h2-5,8,11H,6-7H2,1H3 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(3-methoxyazetidin-1-yl)carbonylbenzaldehyde |
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 | | V2T | | Name: | 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide | | Formula: | C12 H11 N3 O2 | | SMILES: | Cn1ccc(NC(=O)c2ccc(C=O)cc2)n1 | | InChi: | InChI=1S/C12H11N3O2/c1-15-7-6-11(14-15)13-12(17)10-4-2-9(8-16)3-5-10/h2-8H,1H3,(H,13,14,17) | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-(1-methylpyrazol-3-yl)benzamide |
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 | | V2W | | Name: | 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide | | Formula: | C16 H15 N O3 | | SMILES: | COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1 | | InChi: | InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19) | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]benzamide |
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 | | V32 | | Name: | 4-morpholin-4-ylcarbonylbenzaldehyde | | Formula: | C12 H13 N O3 | | SMILES: | O=Cc1ccc(cc1)C(=O)N2CCOCC2 | | InChi: | InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-morpholin-4-ylcarbonylbenzaldehyde |
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 | | V3B | | Name: | 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide | | Formula: | C15 H19 N3 O3 | | SMILES: | CN(C)C(=O)N1CCN(CC1)C(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C15H19N3O3/c1-16(2)15(21)18-9-7-17(8-10-18)14(20)13-5-3-12(11-19)4-6-13/h3-6,11H,7-10H2,1-2H3 | | Definition date: | 2021-04-08 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-methanoylphenyl)carbonyl-~{N},~{N}-dimethyl-piperazine-1-carboxamide |
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 | | V3K | | Name: | 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide | | Formula: | C13 H13 N3 O2 | | SMILES: | Cn1cc(CNC(=O)c2ccc(C=O)cc2)cn1 | | InChi: | InChI=1S/C13H13N3O2/c1-16-8-11(7-15-16)6-14-13(18)12-4-2-10(9-17)3-5-12/h2-5,7-9H,6H2,1H3,(H,14,18) | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-[(1-methylpyrazol-4-yl)methyl]benzamide |
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 | | V3N | | Name: | 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide | | Formula: | C14 H17 N O3 | | SMILES: | O=Cc1ccc(cc1)C(=O)NCC2CCOCC2 | | InChi: | InChI=1S/C14H17NO3/c16-10-12-1-3-13(4-2-12)14(17)15-9-11-5-7-18-8-6-11/h1-4,10-11H,5-9H2,(H,15,17) | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-(oxan-4-ylmethyl)benzamide |
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 | | V3Q | | Name: | 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide | | Formula: | C16 H15 N O3 | | SMILES: | COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1 | | InChi: | InChI=1S/C16H15NO3/c1-20-15-4-2-3-13(9-15)10-17-16(19)14-7-5-12(11-18)6-8-14/h2-9,11H,10H2,1H3,(H,17,19) | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-[(3-methoxyphenyl)methyl]benzamide |
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 | | V3T | | Name: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide | | Formula: | C13 H13 N3 O2 | | SMILES: | Cn1ccnc1CNC(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C13H13N3O2/c1-16-7-6-14-12(16)8-15-13(18)11-4-2-10(9-17)3-5-11/h2-7,9H,8H2,1H3,(H,15,18) | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-methanoyl-~{N}-[(1-methylimidazol-2-yl)methyl]benzamide |
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 | | V3W | | Name: | 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde | | Formula: | C14 H17 N O3 | | SMILES: | COC1CCN(CC1)C(=O)c2ccc(C=O)cc2 | | InChi: | InChI=1S/C14H17NO3/c1-18-13-6-8-15(9-7-13)14(17)12-4-2-11(10-16)3-5-12/h2-5,10,13H,6-9H2,1H3 | | Definition date: | 2021-04-09 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | 4-(4-methoxypiperidin-1-yl)carbonylbenzaldehyde |
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 | | V3Z | | Name: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate | | Formula: | C10 H11 N O6 S | | SMILES: | CC(C)[S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O | | InChi: | InChI=1S/C10H11NO6S/c1-7(2)18(15,16)17-10-5-8(6-12)3-4-9(10)11(13)14/h3-7H,1-2H3 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) propane-2-sulfonate |
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 | | V42 | | Name: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate | | Formula: | C11 H9 N3 O6 S | | SMILES: | Cn1cc(cn1)[S](=O)(=O)Oc2cc(C=O)ccc2[N+]([O-])=O | | InChi: | InChI=1S/C11H9N3O6S/c1-13-6-9(5-12-13)21(18,19)20-11-4-8(7-15)2-3-10(11)14(16)17/h2-7H,1H3 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 1-methylpyrazole-4-sulfonate |
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 | | V48 | | Name: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate | | Formula: | C16 H13 N O6 | | SMILES: | COc1cccc(CC(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)c1 | | InChi: | InChI=1S/C16H13NO6/c1-22-13-4-2-3-11(7-13)9-16(19)23-15-8-12(10-18)5-6-14(15)17(20)21/h2-8,10H,9H2,1H3 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 2-(3-methoxyphenyl)ethanoate |
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 | | V4B | | Name: | [5-methanoyl-2-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]phenyl] 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate | | Formula: | C15 H9 F3 N2 O5 | | SMILES: | Cc1nc(ccc1C(=O)Oc2cc(C=O)ccc2[N+]([O-])=O)C(F)(F)F | | InChi: | InChI=1S/C15H9F3N2O5/c1-8-10(3-5-13(19-8)15(16,17)18)14(22)25-12-6-9(7-21)2-4-11(12)20(23)24/h2-7H,1H3 | | Definition date: | 2021-04-12 | | Last modified: | 2021-06-04 | | Release date: | 2021-06-09 | | Identifier: | (5-methanoyl-2-nitro-phenyl) 2-methyl-6-(trifluoromethyl)pyridine-3-carboxylate |
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