Vitas-M small molecule compound
3-cyano-4-(4-fluorophenyl)-6-oxo-5-[4-(pyridin-4-yl)pyridinium-1-yl]-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STK536532
SMILES N#CC1=C([S-])NC(=O)C(C1c1ccc(cc1)F)[n+]1ccc(cc1)c1ccncc1
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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 C22H15FN4OS MW 402.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15FN4OS/c23-17-3-1-16(2-4-17)19-18(13-24)22(29)26-21(28)20(19)27-11-7-15(8-12-27)14-5-9-25-10-6-14/h1-12,19-20H,(H-,26,28,29)InChIKey
ULUULDJKEUDMOF-UHFFFAOYSA-NSynonyms
3cyano4(4fluorophenyl)6oxo5(4(pyridin4yl)pyridinium1yl)1456tetrahydropyridine2thiolate
5cyano4(4fluorophenyl)2oxo1234tetrahydro(3144terpyridin)1ium6thiolate
5CYANO4(4FLUOROPHENYL)3(4PYRIDIN4YLPYRIDIN1IUM1YL)6SULFANYL34DIHYDROPYRIDIN2OLATE
C1=CC(=CC=C1C2C(C(=NC(=C2C#N)S)(O))(N+)3=CC=C(C=C3)C4=CC=NC=C4)F
InChI=1SC22H15FN4OSc23173116(2417)1918(1324)22(29)2621(28)20(19)2711715(81227)14592510614h1121920H(H262829)
MFCD01557184
N#CC1=C((S))NC(=O)C(C1c1ccc(cc1)F)(n+)1ccc(cc1)c1ccncc1
ZINC000002350565
ZINC000002350571
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