Vitas-M small molecule compound
cyclopentyl 7-(2-methoxyphenyl)-2-methyl-4-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402971
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)[N+](=O)[O-])C(=O)OC1CCCC1)C
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C29H30N2O6 MW 502.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O6/c1-17-26(29(33)37-21-7-3-4-8-21)27(18-11-13-20(14-12-18)31(34)35)28-23(30-17)15-19(16-24(28)32)22-9-5-6-10-25(22)36-2/h5-6,9-14,19,21,27,30H,3-4,7-8,15-16H2,1-2H3InChIKey
ZQUSMECIBQVOEK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)(N+)(=O)(O))C(=O)OC5CCCC5
COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)(N+)(=O)(O))C(=O)OC1CCCC1)C
cyclopentyl7(2methoxyphenyl)2methyl4(4nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(2methoxyphenyl)2methyl4(4nitrophenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC29H30N2O6c11726(29(33)3721734821)27(18111320(141218)31(34)35)2823(3017)1519(1624(28)32)229561025(22)362h5691419212730H34781516H212H3
MFCD03370997
ZINC000001151759
ZINC000001151762
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