Vitas-M small molecule compound

2-(benzylsulfanyl)-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile

Catalog ID
STK826351
SMILES N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cccc(c1)[N+](=O)[O-]

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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 C19H15N3O3S MW 365.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O3S/c20-11-17-16(14-7-4-8-15(9-14)22(24)25)10-18(23)21-19(17)26-12-13-5-2-1-3-6-13/h1-9,16H,10,12H2,(H,21,23)
InChIKey
RHHUMTVSXDOENJ-UHFFFAOYSA-N
Synonyms

2(benzylsulfanyl)4(3nitrophenyl)6oxo1456tetrahydropyridine3carbonitrile
2(benzylthio)4(3nitrophenyl)6oxo1456tetrahydropyridine3carbonitrile
6BENZYLSULFANYL4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
C1C(C(=C(NC1=O)SCC2=CC=CC=C2)C#N)C3=CC(=CC=C3)(N+)(=O)(O)
InChI=1SC19H15N3O3Sc20111716(1474815(914)22(24)25)1018(23)2119(17)2612135213613h1916H1012H2(H2123)
MFCD02238248
N#CC1=C(SCc2ccccc2)NC(=O)CC1c1cccc(c1)(N+)(=O)(O)
ZINC000006448669
ZINC000006448671

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Available files

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