Vitas-M small molecule compound
2-(hexylsulfanyl)-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carbonitrile
Catalog ID
STK827124
SMILES CCCCCCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)[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 C18H21N3O3S MW 359.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N3O3S/c1-2-3-4-5-10-25-18-16(12-19)15(11-17(22)20-18)13-6-8-14(9-7-13)21(23)24/h6-9,15H,2-5,10-11H2,1H3,(H,20,22)InChIKey
WOZITPZKOSYICF-UHFFFAOYSA-NSynonyms
361478-07-12(hexylsulfanyl)4(4nitrophenyl)6oxo1456tetrahydropyridine3carbonitrile
2(hexylthio)4(4nitrophenyl)6oxo1456tetrahydropyridine3carbonitrile
361478071
6HEXYLSULFANYL4(4NITROPHENYL)2OXO34DIHYDRO1HPYRIDINE5CARBONITRILE
CCCCCCSC1=C(C#N)C(CC(=O)N1)c1ccc(cc1)(N+)(=O)(O)
CCCCCCSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)(N+)(=O)(O))C#N
InChI=1SC18H21N3O3Sc1234510251816(1219)15(1117(22)2018)136814(9713)21(23)24h6915H251011H21H3(H2022)
MFCD00376349
ZINC000002312644
ZINC000002312645
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