Vitas-M small molecule compound
5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(4-fluorophenyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STL392159
SMILES Fc1ccc(cc1)n1c(nnc1S)CCn1nc(c(c1C)[N+](=O)[O-])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/c1-9-14(22(23)24)10(2)20(19-9)8-7-13-17-18-15(25)21(13)12-5-3-11(16)4-6-12/h3-6H,7-8H2,1-2H3,(H,18,25)InChIKey
UTWNOXOOVFQNDD-UHFFFAOYSA-NSynonyms
957511-09-03(2(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)4(4FLUOROPHENYL)1H124TRIAZOLE5THIONE
4(4FLUOROPHENYL)3(2(4NITRO35DIMETHYL1HPYRAZOL1YL)ETHYL)5SULFANYL4H124TRIAZOLE
5(2(35dimethyl4nitro1Hpyrazol1yl)ethyl)4(4fluorophenyl)4H124triazole3thiol
957511090
CC1=C(C(=NN1CCC2=NNC(=S)N2C3=CC=C(C=C3)F)C)(N+)(=O)(O)
Fc1ccc(cc1)n1c(nnc1S)CCn1nc(c(c1C)(N+)(=O)(O))C
InChI=1SC15H15FN6O2Sc1914(22(23)24)10(2)20(199)8713171815(25)21(13)125311(16)4612h36H78H212H3(H1825)
MFCD04048192
ZINC000005424959
ZINC5424959
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