Vitas-M small molecule compound
methyl 4-[2-(benzyloxy)phenyl]-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK082128
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccccc1
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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 C31H29NO4 MW 479.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29NO4/c1-20-28(31(34)35-2)29(24-15-9-10-16-27(24)36-19-21-11-5-3-6-12-21)30-25(32-20)17-23(18-26(30)33)22-13-7-4-8-14-22/h3-16,23,29,32H,17-19H2,1-2H3InChIKey
NGHNNCLUXBGQGW-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4OCC5=CC=CC=C5)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccccc1OCc1ccccc1)C(=O)CC(C2)c1ccccc1
InChI=1SC31H29NO4c12028(31(34)352)29(24159101627(24)361921115361221)3025(3220)1723(1826(30)33)22137481422h316232932H1719H212H3
methyl2methyl5oxo7phenyl4(2phenylmethoxyphenyl)4678tetrahydro1Hquinoline3carboxylate
methyl4(2(benzyloxy)phenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
MFCD00771244
STK082128
ZINC000019880552
ZINC000019880559
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