Vitas-M small molecule compound

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

Catalog ID
STK346791
SMILES FC(c1nnc(n1N)SCn1nc(c(c1C)[N+](=O)[O-])C)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 C9H11F2N7O2S MW 319.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H11F2N7O2S/c1-4-6(18(19)20)5(2)16(15-4)3-21-9-14-13-8(7(10)11)17(9)12/h7H,3,12H2,1-2H3
InChIKey
UDSNNHAUPITKHR-UHFFFAOYSA-N
Synonyms
925179-62-0
3(DIFLUOROMETHYL)5(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)SULFANYL)4H124TRIAZOL4AMI
3(difluoromethyl)5(((35dimethyl4nitro1Hpyrazol1yl)methyl)sulfanyl)4H124triazol4amine
3(DIFLUOROMETHYL)5(((35DIMETHYL4NITRO1HPYRAZOL1YL)METHYL)THIO)4H124TRIAZOL4AMINE
3(DIFLUOROMETHYL)5(((35DIMETHYL4NITROPYRAZOL1YL)METHYL)SULFANYL)124TRIAZOL4AMINE
3(difluoromethyl)5((35dimethyl4nitropyrazol1yl)methylsulfanyl)124triazol4amine
3(DIFLUOROMETHYL)5((35DIMETHYL4NITROPYRAZOLYL)METHYLTHIO)124TRIAZOLE4YLAMINE
3DIFLUOROMETHYL5(35DIMETHYL4NITROPYRAZOL1
3DIFLUOROMETHYL5(35DIMETHYL4NITROPYRAZOL1YLMETHYLSULFANYL)(124)TRIAZOL4YLAMINE
925179620
CC1=C(C(=NN1CSC2=NN=C(N2N)C(F)F)C)(N+)(=O)(O)
FC(c1nnc(n1N)SCn1nc(c(c1C)(N+)(=O)(O))C)F
InChI=1SC9H11F2N7O2Sc146(18(19)20)5(2)16(154)321914138(7(10)11)17(9)12h7H312H212H3
MFCD05861673
ZINC000002554034
ZINC02554034
ZINC2554034

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Available files

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