Vitas-M small molecule compound
benzyl 7-(4-chlorophenyl)-4-(3-ethoxy-4-hydroxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK364252
SMILES CCOc1cc(ccc1O)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCc1ccccc1
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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 C32H30ClNO5 MW 544.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO5/c1-3-38-28-17-22(11-14-26(28)35)30-29(32(37)39-18-20-7-5-4-6-8-20)19(2)34-25-15-23(16-27(36)31(25)30)21-9-12-24(33)13-10-21/h4-14,17,23,30,34-35H,3,15-16,18H2,1-2H3InChIKey
NVUMFIZZQFIAQW-UHFFFAOYSA-NSynonyms
5712-35-65712356
benzyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl7(4chlorophenyl)4(3ethoxy4hydroxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC5=CC=CC=C5)C)O
InChI=1SC32H30ClNO5c1338281722(111426(28)35)3029(32(37)3918207546820)19(2)34251523(1627(36)31(25)30)2191224(33)131021h4141723303435H3151618H212H3
MFCD01590171
ZINC000004111984
ZINC000004111995
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