Vitas-M small molecule compound

ethyl 5-cyano-4-(2-fluorophenyl)-2-oxo-6-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-1,2,3,4-tetrahydropyridine-3-carboxylate

Catalog ID
STK551964
SMILES CCOC(=O)C1C(=O)NC(=C(C1c1ccccc1F)C#N)SCC(=O)Nc1cccc(c1)C(F)(F)F

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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 C24H19F4N3O4S MW 521.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19F4N3O4S/c1-2-35-23(34)20-19(15-8-3-4-9-17(15)25)16(11-29)22(31-21(20)33)36-12-18(32)30-14-7-5-6-13(10-14)24(26,27)28/h3-10,19-20H,2,12H2,1H3,(H,30,32)(H,31,33)
InChIKey
RJUUNKKLTGHCGX-UHFFFAOYSA-N
Synonyms
693233-59-9
693233599
CCOC(=O)C1C(C(=C(NC1=O)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F)C#N)C3=CC=CC=C3F
ethyl5cyano4(2fluorophenyl)2oxo6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)sulfanyl)1234tetrahydropyridine3carboxylate
ethyl5cyano4(2fluorophenyl)2oxo6((2oxo2((3(trifluoromethyl)phenyl)amino)ethyl)thio)1234tetrahydropyridine3carboxylate
ETHYL5CYANO4(2FLUOROPHENYL)2OXO6(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHYL)SULFANYL34DIHYDRO1HPYRIDINE3CARBOXYLATE
InChI=1SC24H19F4N3O4Sc123523(34)2019(15834917(15)25)16(1129)22(3121(20)33)361218(32)301475613(1014)24(2627)28h3101920H212H21H3(H3032)(H3133)
MFCD03670843
ZINC000001143089
ZINC000001143095

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Available files

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