Vitas-M small molecule compound
1-(difluoromethyl)-N-[3-(3-methoxy-4-nitro-1H-pyrazol-1-yl)propyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
Catalog ID
STL405296
SMILES COc1nn(cc1[N+](=O)[O-])CCCNS(=O)(=O)c1c(C)nn(c1C)C(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 C13H18F2N6O5S MW 408.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H18F2N6O5S/c1-8-11(9(2)20(17-8)13(14)15)27(24,25)16-5-4-6-19-7-10(21(22)23)12(18-19)26-3/h7,13,16H,4-6H2,1-3H3InChIKey
BHAZSLWCRCPCTM-UHFFFAOYSA-NSynonyms
1006994-33-71(difluoromethyl)N(3(3methoxy4nitro1Hpyrazol1yl)propyl)35dimethyl1Hpyrazole4sulfonamide
1(difluoromethyl)N(3(3methoxy4nitropyrazol1yl)propyl)35dimethylpyrazole4sulfonamide
1006994337
CC1=C(C(=NN1C(F)F)C)S(=O)(=O)NCCCN2C=C(C(=N2)OC)(N+)(=O)(O)
COc1nn(cc1(N+)(=O)(O))CCCNS(=O)(=O)c1c(C)nn(c1C)C(F)F
InChI=1SC13H18F2N6O5Sc1811(9(2)20(178)13(14)15)27(2425)1654619710(21(22)23)12(1819)263h71316H46H213H3
MFCD08556370
ZINC000036614827
ZINC36614827
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