Vitas-M small molecule compound

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

Catalog ID
STL327153
SMILES N#CC1=C([S-])NC(=O)C(C1c1ccccc1[N+](=O)[O-])[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 C17H12N4O3S MW 352.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O3S/c18-10-12-14(11-6-2-3-7-13(11)21(23)24)15(16(22)19-17(12)25)20-8-4-1-5-9-20/h1-9,14-15H,(H-,19,22,25)
InChIKey
XLKDMRDJWHDQEH-UHFFFAOYSA-N
Synonyms

(3R4S)5cyano4(2nitrophenyl)2oxo1234tetrahydro(13bipyridin)1ium6thiolate
3cyano4(2nitrophenyl)6oxo5(pyridinium1yl)1456tetrahydropyridine2thiolate
5CYANO4(2NITROPHENYL)3PYRIDIN1IUM1YL6SULFANYL34DIHYDROPYRIDIN2OLATE
C1=CC=(N+)(C=C1)C2C(C(=C(N=C2(O))S)C#N)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC17H12N4O3Sc18101214(11623713(11)21(23)24)15(16(22)1917(12)25)208415920h191415H(H192225)
N#CC1=C((S))NC(=O)(C@@H)((C@H)1c1ccccc1(N+)(=O)(O))(n+)1ccccc1
N#CC1=C((S))NC(=O)C(C1c1ccccc1(N+)(=O)(O))(n+)1ccccc1

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Available files

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