Vitas-M small molecule compound
cyclopentyl 7-(3,4-dimethoxyphenyl)-2-methyl-4-(2-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK004627
SMILES COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1C)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 C31H35NO5 MW 501.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO5/c1-18-9-5-8-12-23(18)29-28(31(34)37-22-10-6-7-11-22)19(2)32-24-15-21(16-25(33)30(24)29)20-13-14-26(35-3)27(17-20)36-4/h5,8-9,12-14,17,21-22,29,32H,6-7,10-11,15-16H2,1-4H3InChIKey
HRPGRRLIXRNFAN-UHFFFAOYSA-NSynonyms
421572-63-6421572636
CC1=CC=CC=C1C2C3=C(CC(CC3=O)C4=CC(=C(C=C4)OC)OC)NC(=C2C(=O)OC5CCCC5)C
COc1ccc(cc1OC)C1CC(=O)C2=C(C1)NC(=C(C2c1ccccc1C)C(=O)OC1CCCC1)C
cyclopentyl7(34dimethoxyphenyl)2methyl4(2methylphenyl)5oxo145678hexahydroquinoline3carboxylate
cyclopentyl7(34dimethoxyphenyl)2methyl4(2methylphenyl)5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H35NO5c1189581223(18)2928(31(34)372210671122)19(2)32241521(1625(33)30(24)29)20131426(353)27(1720)364h58912141721222932H6710111516H214H3
MFCD02224273
STK004627
ZINC000006444560
ZINC000006444592
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