Vitas-M small molecule compound
cyclohexyl 4-[4-(acetyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK364267
SMILES COc1cc(ccc1OC(=O)C)C1C(=C(C)NC2=C1C(=O)CC(C2)c1ccccc1)C(=O)OC1CCCCC1
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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 C32H35NO6 MW 529.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H35NO6/c1-19-29(32(36)39-24-12-8-5-9-13-24)30(22-14-15-27(38-20(2)34)28(18-22)37-3)31-25(33-19)16-23(17-26(31)35)21-10-6-4-7-11-21/h4,6-7,10-11,14-15,18,23-24,30,33H,5,8-9,12-13,16-17H2,1-3H3InChIKey
QRMXUSYMBVBOCK-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC(=C(C=C4)OC(=O)C)OC)C(=O)OC5CCCCC5
cyclohexyl4(4(acetyloxy)3methoxyphenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(4acetyloxy3methoxyphenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC32H35NO6c11929(32(36)3924128591324)30(22141527(3820(2)34)28(1822)373)3125(3319)1623(1726(31)35)21106471121h467101114151823243033H58912131617H213H3
MFCD01136956
ZINC000000647382
ZINC000000647398
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