Vitas-M small molecule compound
cyclopentyl 4-[4-(acetyloxy)phenyl]-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403200
SMILES COc1ccccc1C1CC(=O)C2=C(C1)NC(=C(C2c1ccc(cc1)OC(=O)C)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 C31H33NO6 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO6/c1-18-28(31(35)38-22-8-4-5-9-22)29(20-12-14-23(15-13-20)37-19(2)33)30-25(32-18)16-21(17-26(30)34)24-10-6-7-11-27(24)36-3/h6-7,10-15,21-22,29,32H,4-5,8-9,16-17H2,1-3H3InChIKey
OIMISOGUXWNOTR-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC=C(C=C4)OC(=O)C)C(=O)OC5CCCC5
cyclopentyl4(4(acetyloxy)phenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cyclopentyl4(4acetyloxyphenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC31H33NO6c11828(31(35)3822845922)29(20121423(151320)3719(2)33)3025(3218)1621(1726(30)34)2410671127(24)363h67101521222932H45891617H213H3
MFCD03312429
ZINC000001439744
ZINC000001439747
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