Vitas-M small molecule compound
propan-2-yl 2-methyl-4-(4-methylphenyl)-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402467
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C)C(=O)CC(C2)c1ccccc1)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 C27H29NO3 MW 415.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H29NO3/c1-16(2)31-27(30)24-18(4)28-22-14-21(19-8-6-5-7-9-19)15-23(29)26(22)25(24)20-12-10-17(3)11-13-20/h5-13,16,21,25,28H,14-15H2,1-4H3InChIKey
TYFSBTKSXDXEEE-UHFFFAOYSA-NSynonyms
CC1=CC=C(C=C1)C2C3=C(CC(CC3=O)C4=CC=CC=C4)NC(=C2C(=O)OC(C)C)C
InChI=1SC27H29NO3c116(2)3127(30)2418(4)28221421(198657919)1523(29)26(22)25(24)20121017(3)111320h51316212528H1415H214H3
MFCD00771326
propan2yl2methyl4(4methylphenyl)5oxo7phenyl145678hexahydroquinoline3carboxylate
propan2yl2methyl4(4methylphenyl)5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
ZINC000005023142
ZINC000005023145
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