Vitas-M small molecule compound
2-phenylethyl 4-[4-(benzyloxy)-3-methoxyphenyl]-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK086179
SMILES COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)OC)OCc1ccccc1)C(=O)OCCc1ccccc1)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 C40H39NO6 MW 629.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C40H39NO6/c1-26-37(40(43)46-21-20-27-10-6-4-7-11-27)38(30-16-19-35(36(24-30)45-3)47-25-28-12-8-5-9-13-28)39-33(41-26)22-31(23-34(39)42)29-14-17-32(44-2)18-15-29/h4-19,24,31,38,41H,20-23,25H2,1-3H3InChIKey
PQNWKMYWHWDIKJ-UHFFFAOYSA-NSynonyms
2phenylethyl4(4(benzyloxy)3methoxyphenyl)7(4methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4methoxyphenyl)4(3methoxy4phenylmethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)OCC5=CC=CC=C5)OC)C(=O)OCCC6=CC=CC=C6
COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)OC)OCc1ccccc1)C(=O)OCCc1ccccc1)C
InChI=1SC40H39NO6c12637(40(43)46212027106471127)38(30161935(36(2430)453)472528128591328)3933(4126)2231(2334(39)42)29141732(442)181529h41924313841H202325H213H3
MFCD01823516
STK086179
ZINC000100569346
ZINC000100569358
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