Vitas-M small molecule compound

3-cyano-4-(4-fluorophenyl)-6-oxo-5-(pyridinium-1-yl)-1,4,5,6-tetrahydropyridine-2-thiolate

Catalog ID
STL326180
SMILES N#CC1=C([S-])NC(=O)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 C17H12FN3OS MW 325.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12FN3OS/c18-12-6-4-11(5-7-12)14-13(10-19)17(23)20-16(22)15(14)21-8-2-1-3-9-21/h1-9,14-15H,(H-,20,22,23)
InChIKey
CKCOWOWSPHMETP-UHFFFAOYSA-N
Synonyms

(3R4S)5cyano4(4fluorophenyl)2oxo1234tetrahydro(13bipyridin)1ium6thiolate
3cyano4(4fluorophenyl)6oxo5(pyridinium1yl)1456tetrahydropyridine2thiolate
5CYANO4(4FLUOROPHENYL)3PYRIDIN1IUM1YL6SULFANYL34DIHYDROPYRIDIN2OLATE
C1=CC=(N+)(C=C1)C2C(C(=C(N=C2(O))S)C#N)C3=CC=C(C=C3)F
InChI=1SC17H12FN3OSc18126411(5712)1413(1019)17(23)2016(22)15(14)218213921h191415H(H202223)
MFCD00487061
N#CC1=C((S))NC(=O)(C@@H)((C@H)1c1ccc(cc1)F)(n+)1ccccc1
N#CC1=C((S))NC(=O)C(C1c1ccc(cc1)F)(n+)1ccccc1
ZINC000002272664
ZINC000016034555

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Available files

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