Vitas-M small molecule compound
2-phenylethyl 7-(4-chlorophenyl)-4-(2,3-dimethoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK037179
SMILES COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
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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/c1-20-29(33(37)40-17-16-21-8-5-4-6-9-21)30(25-10-7-11-28(38-2)32(25)39-3)31-26(35-20)18-23(19-27(31)36)22-12-14-24(34)15-13-22/h4-15,23,30,35H,16-19H2,1-3H3InChIKey
SWKHBNIKHUSKEA-UHFFFAOYSA-NSynonyms
2phenylethyl7(4chlorophenyl)4(23dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4chlorophenyl)4(23dimethoxyphenyl)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
COc1cccc(c1OC)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)Cl)C(=O)OCCc1ccccc1
InChI=1SC33H32ClNO5c12029(33(37)401716218546921)30(251071128(382)32(25)393)3126(3520)1823(1927(31)36)22121424(34)151322h415233035H1619H213H3
MFCD01446355
STK037179
ZINC000000667031
ZINC000000667046
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