Vitas-M small molecule compound

3-{[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]sulfanyl}-5-(trifluoromethyl)-4H-1,2,4-triazol-4-amine

Catalog ID
STK346792
SMILES [O-][N+](=O)c1c(C)nn(c1C)CSc1nnc(n1N)C(F)(F)F

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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 C9H10F3N7O2S MW 337.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H10F3N7O2S/c1-4-6(19(20)21)5(2)17(16-4)3-22-8-15-14-7(18(8)13)9(10,11)12/h3,13H2,1-2H3
InChIKey
MDOIOAOFYZLKCH-UHFFFAOYSA-N
Synonyms
957005-96-8
(O)(N+)(=O)c1c(C)nn(c1C)CSc1nnc(n1N)C(F)(F)F
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)5(TRIFLUOROMETHYL)4H124TRIAZOL4AM
3(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)5(trifluoromethyl)4H124triazol4amine
3(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)THIO)5(TRIFLUOROMETHYL)4H124TRIAZOL4AMINE
3((35dimethyl4nitropyrazol1yl)methylsulfanyl)5(trifluoromethyl)124triazol4amine
3((35DIMETHYL4NITROPYRAZOLYL)METHYLTHIO)5(TRIFLUOROMETHYL)124TRIAZOLE4YLAMINE
3(35DIMETHYL4NITROPYRAZOL1YLMETHYLSULFANYL)5TRIFLUOROMETHYL(124)TRIAZOL4YLAMINE
957005968
CC1=C(C(=NN1CSC2=NN=C(N2N)C(F)(F)F)C)(N+)(=O)(O)
InChI=1SC9H10F3N7O2Sc146(19(20)21)5(2)17(164)322815147(18(8)13)9(1011)12h313H212H3
MFCD05861715
ZINC000002554078
ZINC02554078
ZINC2554078

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.