Vitas-M small molecule compound

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

Catalog ID
STK077395
SMILES COc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)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 C31H35NO6 MW 517.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO6/c1-18-28(31(34)38-21-9-5-6-10-21)29(22-11-7-8-12-25(22)35-2)30-23(32-18)15-20(16-24(30)33)19-13-14-26(36-3)27(17-19)37-4/h7-8,11-14,17,20-21,29,32H,5-6,9-10,15-16H2,1-4H3
InChIKey
RSPNSLQPABQWON-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=CC=C4OC)C(=O)OC5CCCC5
COc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl7(34dimethoxyphenyl)4(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(34dimethoxyphenyl)4(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO6c11828(31(34)38219561021)29(2211781225(22)352)3023(3218)1520(1624(30)33)19131426(363)27(1719)374h7811141720212932H569101516H214H3
MFCD02224220
STK077395
ZINC000000679056
ZINC000000679071

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.