Vitas-M small molecule compound
2-phenylethyl 7-(4-chlorophenyl)-4-(2,5-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK048276
SMILES COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1)OC
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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 C33H32ClNO5 MW 558.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H32ClNO5/c1-20-30(33(37)40-16-15-21-7-5-4-6-8-21)31(26-19-25(38-2)13-14-29(26)39-3)32-27(35-20)17-23(18-28(32)36)22-9-11-24(34)12-10-22/h4-14,19,23,31,35H,15-18H2,1-3H3InChIKey
IPVJOMVZTVREBL-UHFFFAOYSA-NSynonyms
2phenylethyl7(4chlorophenyl)4(25dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4chlorophenyl)4(25dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=C(C=CC(=C4)OC)OC)C(=O)OCCC5=CC=CC=C5
COc1ccc(c(c1)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1)OC
InChI=1SC33H32ClNO5c12030(33(37)401615217546821)31(261925(382)131429(26)393)3227(3520)1723(1828(32)36)2291124(34)121022h41419233135H1518H213H3
MFCD01471039
STK048276
ZINC000001082034
ZINC000001082037
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