Vitas-M small molecule compound
benzyl 7-(4-methoxyphenyl)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK071251
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)C)C(=O)OCc1ccccc1)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 C32H31NO4 MW 493.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31NO4/c1-20-9-11-24(12-10-20)30-29(32(35)37-19-22-7-5-4-6-8-22)21(2)33-27-17-25(18-28(34)31(27)30)23-13-15-26(36-3)16-14-23/h4-16,25,30,33H,17-19H2,1-3H3InChIKey
ZWQHIDVGJMNFGB-UHFFFAOYSA-NSynonyms
benzyl7(4methoxyphenyl)2methyl4(4methylphenyl)5oxo145678hexahydroquinoline3carboxylate
benzyl7(4methoxyphenyl)2methyl4(4methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)OC)NC(=C2C(=O)OCC5=CC=CC=C5)C
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)C)C(=O)OCc1ccccc1)C
InChI=1SC32H31NO4c12091124(121020)3029(32(35)3719227546822)21(2)33271725(1828(34)31(27)30)23131526(363)161423h416253033H1719H213H3
MFCD01529839
STK071251
ZINC000004068359
ZINC000004068362
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