Vitas-M small molecule compound
2-methylpropyl 4-(2-fluorophenyl)-2-methyl-5-oxo-7-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK098953
SMILES CC(COC(=O)C1=C(C)NC2=C(C1c1ccccc1F)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 C27H28FNO3 MW 433.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28FNO3/c1-16(2)15-32-27(31)24-17(3)29-22-13-19(18-9-5-4-6-10-18)14-23(30)26(22)25(24)20-11-7-8-12-21(20)28/h4-12,16,19,25,29H,13-15H2,1-3H3InChIKey
VAHSKKMELNMDEV-UHFFFAOYSA-NSynonyms
2methylpropyl4(2fluorophenyl)2methyl5oxo7phenyl145678hexahydroquinoline3carboxylate
2methylpropyl4(2fluorophenyl)2methyl5oxo7phenyl4678tetrahydro1Hquinoline3carboxylate
CC(COC(=O)C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1ccccc1)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3)C4=CC=CC=C4F)C(=O)OCC(C)C
InChI=1SC27H28FNO3c116(2)153227(31)2417(3)29221319(1895461018)1423(30)26(22)25(24)2011781221(20)28h41216192529H1315H213H3
MFCD02632927
STK098953
ZINC000001202576
ZINC000001202585
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