Vitas-M small molecule compound
propan-2-yl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK046551
SMILES CC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1ccc(cc1)Cl)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)29-21-12-17(16-8-10-18(27)11-9-16)13-22(30)25(21)24(23)19-6-4-5-7-20(19)28/h4-11,14,17,24,29H,12-13H2,1-3H3InChIKey
PUVLFWZMQFVAOW-UHFFFAOYSA-NSynonyms
CC(OC(=O)C1=C(C)NC2=C(C1c1ccccc1F)C(=O)CC(C2)c1ccc(cc1)Cl)C
CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=C(C=C3)Cl)C4=CC=CC=C4F)C(=O)OC(C)C
InChI=1SC26H25ClFNO3c114(2)3226(31)2315(3)29211217(1681018(27)11916)1322(30)25(21)24(23)19645720(19)28h41114172429H1213H213H3
MFCD01825133
propan2yl7(4chlorophenyl)4(2fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
propan2yl7(4chlorophenyl)4(2fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
STK046551
ZINC000020123890
ZINC000020123895
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