Vitas-M small molecule compound
cyclopentyl 4-(3,4-dimethoxyphenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK023137
SMILES COc1cc(ccc1OC)C1C2=C(NC(=C1C(=O)OC1CCCC1)C)CC(CC2=O)c1ccccc1OC
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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(19-13-14-26(36-3)27(17-19)37-4)30-23(32-18)15-20(16-24(30)33)22-11-7-8-12-25(22)35-2/h7-8,11-14,17,20-21,29,32H,5-6,9-10,15-16H2,1-4H3InChIKey
UKSMJHBMHGVBEQ-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=C(C=C4)OC)OC)C(=O)OC5CCCC5
COc1cc(ccc1OC)C1C2=C(NC(=C1C(=O)OC1CCCC1)C)CC(CC2=O)c1ccccc1OC
cyclopentyl4(34dimethoxyphenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(34dimethoxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO6c11828(31(34)38219561021)29(19131426(363)27(1719)374)3023(3218)1520(1624(30)33)2211781225(22)352h7811141720212932H569101516H214H3
MFCD03370951
STK023137
ZINC000001074581
ZINC000001074592
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