Vitas-M small molecule compound
2-phenylethyl 7-(4-chlorophenyl)-4-(3,4-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK363622
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)Cl)Cl)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 C31H26Cl3NO3 MW 566.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26Cl3NO3/c1-18-28(31(37)38-14-13-19-5-3-2-4-6-19)29(21-9-12-24(33)25(34)15-21)30-26(35-18)16-22(17-27(30)36)20-7-10-23(32)11-8-20/h2-12,15,22,29,35H,13-14,16-17H2,1H3InChIKey
PHPWAQPZOOYSQS-UHFFFAOYSA-NSynonyms
2phenylethyl7(4chlorophenyl)4(34dichlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4chlorophenyl)4(34dichlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC(=C(C=C4)Cl)Cl)C(=O)OCCC5=CC=CC=C5
InChI=1SC31H26Cl3NO3c11828(31(37)381413195324619)29(2191224(33)25(34)1521)3026(3518)1622(1727(30)36)2071023(32)11820h21215222935H13141617H21H3
MFCD01446334
ZINC000100073216
ZINC000100073223
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