Vitas-M small molecule compound
4-[2,2-dicyano-1-(4-nitrophenyl)ethyl]-5-hydroxy-3-methyl-1H-pyrazole-1-carbothioamide
Catalog ID
STK031926
SMILES N#CC(C(c1c(C)nn(c1O)C(=S)N)c1ccc(cc1)[N+](=O)[O-])C#N
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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 C15H12N6O3S MW 356.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12N6O3S/c1-8-12(14(22)20(19-8)15(18)25)13(10(6-16)7-17)9-2-4-11(5-3-9)21(23)24/h2-5,10,13,22H,1H3,(H2,18,25)InChIKey
CXPSZRUEDMZRAS-UHFFFAOYSA-NSynonyms
4(22dicyano1(4nitrophenyl)ethyl)5hydroxy3methyl1Hpyrazole1carbothioamide
MFCD02105459
N#CC(C(c1c(C)nn(c1O)C(=S)N)c1ccc(cc1)(N+)(=O)(O))C#N
STK031926
ZINC000006268988
ZINC000006268990
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