Vitas-M small molecule compound
3-cyano-4-(4-fluorophenyl)-5-(pyridinium-1-yl)-6-thioxo-1,4,5,6-tetrahydropyridine-2-thiolate
Catalog ID
STL328738
SMILES N#CC1=C([S-])NC(=S)C(C1c1ccc(cc1)F)[n+]1ccccc1
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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 C17H12FN3S2 MW 341.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12FN3S2/c18-12-6-4-11(5-7-12)14-13(10-19)16(22)20-17(23)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)InChIKey
TZQOMGDUKXLKSP-UHFFFAOYSA-NSynonyms
(3R4S)5cyano4(4fluorophenyl)2thioxo1234tetrahydro(13bipyridin)1ium6thiolate
3cyano4(4fluorophenyl)5(pyridinium1yl)6thioxo1456tetrahydropyridine2thiolate
5cyano4(4fluorophenyl)3pyridin1ium1yl2sulfanylidene34dihydro1Hpyridine6thiolate
C1=CC=(N+)(C=C1)C2C(C(=C(NC2=S)(S))C#N)C3=CC=C(C=C3)F
InChI=1SC17H12FN3S2c18126411(5712)1413(1019)16(22)2017(23)15(14)218213921h191415H(H202223)
MFCD28032066
N#CC1=C((S))NC(=S)(C@@H)((C@H)1c1ccc(cc1)F)(n+)1ccccc1
N#CC1=C((S))NC(=S)C(C1c1ccc(cc1)F)(n+)1ccccc1
ZINC000005583152
ZINC000101361789
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