Vitas-M small molecule compound

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

Catalog ID
STK063319
SMILES CCOc1ccccc1C1C2=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 C32H37NO6 MW 531.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO6/c1-5-38-26-13-9-8-12-23(26)30-29(32(35)39-22-10-6-7-11-22)19(2)33-24-16-21(17-25(34)31(24)30)20-14-15-27(36-3)28(18-20)37-4/h8-9,12-15,18,21-22,30,33H,5-7,10-11,16-17H2,1-4H3
InChIKey
ZUBIOCIZIVCYOL-UHFFFAOYSA-N
Synonyms

CCOC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC5CCCC5)C
CCOc1ccccc1C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl7(34dimethoxyphenyl)4(2ethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(34dimethoxyphenyl)4(2ethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC32H37NO6c15382613981223(26)3029(32(35)392210671122)19(2)33241621(1725(34)31(24)30)20141527(363)28(1820)374h8912151821223033H5710111617H214H3
MFCD02224214
STK063319
ZINC000006197130
ZINC000006197167

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Available files

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