Vitas-M small molecule compound
cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-[4-(methylsulfanyl)phenyl]-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK076034
SMILES CSc1ccc(cc1)C1C2=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 C31H35NO5S MW 533.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5S/c1-18-28(31(34)37-22-7-5-6-8-22)29(19-9-12-23(38-4)13-10-19)30-24(32-18)15-21(16-25(30)33)20-11-14-26(35-2)27(17-20)36-3/h9-14,17,21-22,29,32H,5-8,15-16H2,1-4H3InChIKey
KZLDKIBKTVDFCM-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC(=C(C=C3)OC)OC)C4=CC=C(C=C4)SC)C(=O)OC5CCCC5
CSc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(c(c2)OC)OC)NC(=C1C(=O)OC1CCCC1)C
cyclopentyl7(34dimethoxyphenyl)2methyl4(4(methylsulfanyl)phenyl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(34dimethoxyphenyl)2methyl4(4methylsulfanylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO5Sc11828(31(34)3722756822)29(1991223(384)131019)3024(3218)1521(1625(30)33)20111426(352)27(1720)363h9141721222932H581516H214H3
MFCD02224278
STK076034
ZINC000000647937
ZINC000000647951
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