Vitas-M small molecule compound
benzyl 7-(4-chlorophenyl)-4-(4-ethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK070804
SMILES CCOc1ccc(cc1)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 C32H30ClNO4 MW 528.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H30ClNO4/c1-3-37-26-15-11-23(12-16-26)30-29(32(36)38-19-21-7-5-4-6-8-21)20(2)34-27-17-24(18-28(35)31(27)30)22-9-13-25(33)14-10-22/h4-16,24,30,34H,3,17-19H2,1-2H3InChIKey
WVUNPFLTSNCLQZ-UHFFFAOYSA-NSynonyms
benzyl7(4chlorophenyl)4(4ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl7(4chlorophenyl)4(4ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCC5=CC=CC=C5)C
CCOc1ccc(cc1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCc1ccccc1
InChI=1SC32H30ClNO4c133726151123(121626)3029(32(36)3819217546821)20(2)34271724(1828(35)31(27)30)2291325(33)141022h416243034H31719H212H3
MFCD01590176
STK070804
ZINC000004112010
ZINC000004112016
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