Vitas-M small molecule compound

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

Catalog ID
STK406128
SMILES COc1ccc(c(c1OC)OC)C1C2=C(CC(CC2=O)c2ccc(cc2)F)NC(=C1C(=O)OC1CCCC1)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 C31H34FNO6 MW 535.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H34FNO6/c1-17-26(31(35)39-21-7-5-6-8-21)27(22-13-14-25(36-2)30(38-4)29(22)37-3)28-23(33-17)15-19(16-24(28)34)18-9-11-20(32)12-10-18/h9-14,19,21,27,33H,5-8,15-16H2,1-4H3
InChIKey
DXZMZLCBKISATJ-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)F)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)OC5CCCC5
cyclopentyl7(4fluorophenyl)2methyl5oxo4(234trimethoxyphenyl)145678hexahydroquinoline3carboxylate
cyclopentyl7(4fluorophenyl)2methyl5oxo4(234trimethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H34FNO6c11726(31(35)3921756821)27(22131425(362)30(384)29(22)373)2823(3317)1519(1624(28)34)1891120(32)121018h91419212733H581516H214H3
MFCD05986712
ZINC000002844467
ZINC000002844470

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Available files

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