Vitas-M small molecule compound
butan-2-yl 7-(4-chlorophenyl)-4-(2-fluorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402461
SMILES CCC(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 C27H27ClFNO3 MW 467.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27ClFNO3/c1-4-15(2)33-27(32)24-16(3)30-22-13-18(17-9-11-19(28)12-10-17)14-23(31)26(22)25(24)20-7-5-6-8-21(20)29/h5-12,15,18,25,30H,4,13-14H2,1-3H3InChIKey
BCRITIBDEDSVNX-UHFFFAOYSA-NSynonyms
butan2yl7(4chlorophenyl)4(2fluorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
butan2yl7(4chlorophenyl)4(2fluorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCC(C)OC(=O)C1=C(NC2=C(C1C3=CC=CC=C3F)C(=O)CC(C2)C4=CC=C(C=C4)Cl)C
InChI=1SC27H27ClFNO3c1415(2)3327(32)2416(3)30221318(1791119(28)121017)1423(31)26(22)25(24)20756821(20)29h51215182530H41314H213H3
MFCD01445742
ZINC000020573286
ZINC000035973749
Check stock
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Check stock on Vitas-MAvailable files
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