Vitas-M small molecule compound
4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-5-[(5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK309718
SMILES CCn1ncc(c1C)n1c(nnc1S)Cn1nc(cc1C)[N+](=O)[O-]
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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 C13H16N8O2S MW 348.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N8O2S/c1-4-18-9(3)10(6-14-18)20-12(15-16-13(20)24)7-19-8(2)5-11(17-19)21(22)23/h5-6H,4,7H2,1-3H3,(H,16,24)InChIKey
DDELEPRUNCSMMB-UHFFFAOYSA-NSynonyms
1005704-93-71005704937
4(1ethyl5methyl1Hpyrazol4yl)5((5methyl3nitro1Hpyrazol1yl)methyl)4H124triazole3thiol
4(1ETHYL5METHYLPYRAZOL4YL)3((5METHYL3NITROPYRAZOL1YL)METHYL)1H124TRIAZOLE5THIONE
CCN1C(=C(C=N1)N2C(=NNC2=S)CN3C(=CC(=N3)(N+)(=O)(O))C)C
CCn1ncc(c1C)n1c(nnc1S)Cn1nc(cc1C)(N+)(=O)(O)
InChI=1SC13H16N8O2Sc14189(3)10(61418)2012(151613(20)24)7198(2)511(1719)21(22)23h56H47H213H3(H1624)
MFCD04053081
ZINC000002802807
ZINC2802807
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