Vitas-M small molecule compound
cyclohexyl 4-(1,3-benzodioxol-5-yl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STL170443
SMILES O=C(C1=C(C)NC2=C(C1c1ccc3c(c1)OCO3)C(=O)CC(C2)c1ccccc1)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 C30H31NO5 MW 485.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO5/c1-18-27(30(33)36-22-10-6-3-7-11-22)28(20-12-13-25-26(16-20)35-17-34-25)29-23(31-18)14-21(15-24(29)32)19-8-4-2-5-9-19/h2,4-5,8-9,12-13,16,21-22,28,31H,3,6-7,10-11,14-15,17H2,1H3InChIKey
OBOBVQFXDFJQQX-UHFFFAOYSA-NSynonyms
299944-90-4299944904
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC5=C(C=C4)OCO5)C(=O)OC6CCCCC6
cyclohexyl4(13benzodioxol5yl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
cyclohexyl4(13benzodioxol5yl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC30H31NO5c11827(30(33)3622106371122)28(2012132526(1620)35173425)2923(3118)1421(1524(29)32)198425919h2458912131621222831H3671011141517H21H3
MFCD00771551
ZINC000019805188
ZINC000019805197
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