Vitas-M small molecule compound
propan-2-yl 7-(4-chlorophenyl)-4-(4-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK066600
SMILES Fc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(C)C)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 C26H25ClFNO3 MW 453.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClFNO3/c1-14(2)32-26(31)23-15(3)29-21-12-18(16-4-8-19(27)9-5-16)13-22(30)25(21)24(23)17-6-10-20(28)11-7-17/h4-11,14,18,24,29H,12-13H2,1-3H3InChIKey
PKVHEWOVDKIYOI-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)F)C(=O)OC(C)C
Fc1ccc(cc1)C1C2=C(CC(CC2=O)c2ccc(cc2)Cl)NC(=C1C(=O)OC(C)C)C
InChI=1SC26H25ClFNO3c114(2)3226(31)2315(3)29211218(164819(27)9516)1322(30)25(21)24(23)1761020(28)11717h41114182429H1213H213H3
MFCD01571945
propan2yl7(4chlorophenyl)4(4fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)4(4fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK066600
ZINC000100077371
ZINC000100077379
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