Vitas-M small molecule compound
3,5-dimethyl-4-nitro-1-{[(pentafluorophenyl)sulfanyl]methyl}-1H-pyrazole
Catalog ID
STK964501
SMILES [O-][N+](=O)c1c(C)nn(c1C)CSc1c(F)c(F)c(c(c1F)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 C12H8F5N3O2S MW 353.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H8F5N3O2S/c1-4-11(20(21)22)5(2)19(18-4)3-23-12-9(16)7(14)6(13)8(15)10(12)17/h3H2,1-2H3InChIKey
YCEVPCJWDYVWPM-UHFFFAOYSA-NSynonyms
1005696-27-4(O)(N+)(=O)c1c(C)nn(c1C)CSc1c(F)c(F)c(c(c1F)F)F
1005696274
35dimethyl4nitro1(((pentafluorophenyl)sulfanyl)methyl)1Hpyrazole
35dimethyl4nitro1((23456pentafluorophenyl)sulfanylmethyl)pyrazole
CC1=C(C(=NN1CSC2=C(C(=C(C(=C2F)F)F)F)F)C)(N+)(=O)(O)
InChI=1SC12H8F5N3O2Sc1411(20(21)22)5(2)19(184)323129(16)7(14)6(13)8(15)10(12)17h3H212H3
MFCD04050070
ZINC000002785833
ZINC02785833
ZINC2785833
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