Vitas-M small molecule compound
5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK302601
SMILES Fc1ccc(cc1)n1c(S)nnc1C(n1nc(c(c1C)[N+](=O)[O-])C)C
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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 C15H15FN6O2S MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15FN6O2S/c1-8-13(22(23)24)9(2)21(19-8)10(3)14-17-18-15(25)20(14)12-6-4-11(16)5-7-12/h4-7,10H,1-3H3,(H,18,25)InChIKey
PPKBFXUTUKDSEK-UHFFFAOYSA-NSynonyms
957489-88-23(1(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)4(4FLUOROPHENYL)1H124TRIAZOLE5THIONE
4(4FLUOROPHENYL)3(1(4NITRO35DIMETHYL1HPYRAZOL1YL)ETHYL)5SULFANYL4H124TRIAZOLE
5(1(35dimethyl4nitro1Hpyrazol1yl)ethyl)4(4fluorophenyl)4H124triazole3thiol
957489882
CC1=C(C(=NN1C(C)C2=NNC(=S)N2C3=CC=C(C=C3)F)C)(N+)(=O)(O)
Fc1ccc(cc1)n1c(S)nnc1C(n1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC15H15FN6O2Sc1813(22(23)24)9(2)21(198)10(3)14171815(25)20(14)126411(16)5712h4710H13H3(H1825)
MFCD04048223
ZINC000005425072
ZINC000005425124
ZINC00652810
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