Vitas-M small molecule compound
benzyl 2-methyl-5-oxo-4,7-diphenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK003040
SMILES O=C(C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)c1ccccc1)OCc1ccccc1
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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 C30H27NO3 MW 449.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27NO3/c1-20-27(30(33)34-19-21-11-5-2-6-12-21)28(23-15-9-4-10-16-23)29-25(31-20)17-24(18-26(29)32)22-13-7-3-8-14-22/h2-16,24,28,31H,17-19H2,1H3InChIKey
YWGBWEAQQLRIII-UHFFFAOYSA-NSynonyms
benzyl2methyl5oxo47diphenyl145678hexahydroquinoline3carboxylate
benzyl2methyl5oxo47diphenyl4678tetrahydro1Hquinoline3carboxylate
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5
InChI=1SC30H27NO3c12027(30(33)341921115261221)28(231594101623)2925(3120)1724(1826(29)32)22137381422h216242831H1719H21H3
MFCD00771591
O=C(C1=C(C)NC2=C(C1c1ccccc1)C(=O)CC(C2)c1ccccc1)OCc1ccccc1
STK003040
ZINC000019762432
ZINC000019762441
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