Vitas-M small molecule compound

2-phenylethyl 7-(4-chlorophenyl)-4-(2,3-dichlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

Catalog ID
STK363641
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1cccc(c1Cl)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/c1-18-27(31(37)38-15-14-19-6-3-2-4-7-19)28(23-8-5-9-24(33)30(23)34)29-25(35-18)16-21(17-26(29)36)20-10-12-22(32)13-11-20/h2-13,21,28,35H,14-17H2,1H3
InChIKey
SGOZMXQSZXFNOA-UHFFFAOYSA-N
Synonyms

2phenylethyl7(4chlorophenyl)4(23dichlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenylethyl7(4chlorophenyl)4(23dichlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=C(C(=CC=C4)Cl)Cl)C(=O)OCCC5=CC=CC=C5
InChI=1SC31H26Cl3NO3c11827(31(37)381514196324719)28(2385924(33)30(23)34)2925(3518)1621(1726(29)36)20101222(32)131120h213212835H1417H21H3
MFCD01471092
ZINC000100562429
ZINC000100562434

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Available files

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