Vitas-M small molecule compound

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

Catalog ID
STK068953
SMILES Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OCCOc1ccccc1)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 C31H27ClFNO4 MW 532.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClFNO4/c1-19-28(31(36)38-16-15-37-23-7-3-2-4-8-23)29(24-9-5-6-10-25(24)33)30-26(34-19)17-21(18-27(30)35)20-11-13-22(32)14-12-20/h2-14,21,29,34H,15-18H2,1H3
InChIKey
CBXJKTCYDLGVPJ-UHFFFAOYSA-N
Synonyms

2phenoxyethyl7(4chlorophenyl)4(2fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2phenoxyethyl7(4chlorophenyl)4(2fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4F)C(=O)OCCOC5=CC=CC=C5
Clc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1F)C(=O)OCCOc1ccccc1)C
InChI=1SC31H27ClFNO4c11928(31(36)38161537237324823)29(249561025(24)33)3026(3419)1721(1827(30)35)20111322(32)141220h214212934H1518H21H3
MFCD01590130
STK068953
ZINC000100552486
ZINC000100552500

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Available files

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