Vitas-M small molecule compound
ethyl 4-(5-bromo-2-fluorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK402853
SMILES CCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)ccc1F)C(=O)CC(C2)c1cccs1
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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 C23H21BrFNO3S MW 490.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrFNO3S/c1-3-29-23(28)20-12(2)26-17-9-13(19-5-4-8-30-19)10-18(27)22(17)21(20)15-11-14(24)6-7-16(15)25/h4-8,11,13,21,26H,3,9-10H2,1-2H3InChIKey
AITRKWKKHANSIN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(NC2=C(C1C3=C(C=CC(=C3)Br)F)C(=O)CC(C2)C4=CC=CS4)C
ethyl4(5bromo2fluorophenyl)2methyl5oxo7(thiophen2yl)145678hexahydroquinoline3carboxylate
ethyl4(5bromo2fluorophenyl)2methyl5oxo7thiophen2yl4678tetrahydro1Hquinoline3carboxylate
InChI=1SC23H21BrFNO3Sc132923(28)2012(2)2617913(195483019)1018(27)22(17)21(20)151114(24)6716(15)25h4811132126H3910H212H3
MFCD03145665
ZINC000000717504
ZINC000004617422
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