Vitas-M small molecule compound

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

Catalog ID
STK406141
SMILES COc1ccccc1C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccc(cc1)F)C(=O)OCc1ccccc1

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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 C31H28FNO4 MW 497.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28FNO4/c1-19-28(31(35)37-18-20-8-4-3-5-9-20)29(24-10-6-7-11-27(24)36-2)30-25(33-19)16-22(17-26(30)34)21-12-14-23(32)15-13-21/h3-15,22,29,33H,16-18H2,1-2H3
InChIKey
FIRGYOSBDYNSBK-UHFFFAOYSA-N
Synonyms

benzyl7(4fluorophenyl)4(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
benzyl7(4fluorophenyl)4(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=CC=CC=C4OC)C(=O)OCC5=CC=CC=C5
InChI=1SC31H28FNO4c11928(31(35)3718208435920)29(2410671127(24)362)3025(3319)1622(1726(30)34)21121423(32)151321h315222933H1618H212H3
MFCD05986657
ZINC000020322820
ZINC000020322838

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Available files

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