Vitas-M small molecule compound

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

Catalog ID
STK057692
SMILES COc1cc(ccc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)OC)OC)C(=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 C32H37NO7 MW 547.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H37NO7/c1-18-29(32(35)40-22-8-6-7-9-22)30(20-11-13-26(37-3)28(17-20)39-5)31-23(33-18)14-21(15-24(31)34)19-10-12-25(36-2)27(16-19)38-4/h10-13,16-17,21-22,30,33H,6-9,14-15H2,1-5H3
InChIKey
IHZUKYNPZCARTN-UHFFFAOYSA-N
Synonyms

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC(=C(C=C4)OC)OC)C(=O)OC5CCCC5
COc1cc(ccc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(c(c1)OC)OC)C(=O)OC1CCCC1)C
cyclopentyl47bis(34dimethoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl47bis(34dimethoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC32H37NO7c11829(32(35)4022867922)30(20111326(373)28(1720)395)3123(3318)1421(1524(31)34)19101225(362)27(1619)384h1013161721223033H691415H215H3
MFCD02224174
STK057692
ZINC000000678709
ZINC000000678723

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Available files

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