Vitas-M small molecule compound

5-[1-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STL400785
SMILES CCn1ncc(c1C)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 C15H20N8O2S MW 376.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N8O2S/c1-6-20-9(3)12(7-16-20)21-14(17-18-15(21)26)11(5)22-10(4)13(23(24)25)8(2)19-22/h7,11H,6H2,1-5H3,(H,18,26)
InChIKey
FHXIBKKGPODJDW-UHFFFAOYSA-N
Synonyms
1005705-25-8
1005705258
3(1(35DIMETHYL4NITROPYRAZOL1YL)ETHYL)4(1ETHYL5METHYLPYRAZOL4YL)1H124TRIAZOLE5THIONE
5((35DIMETHYL4NITROPYRAZOLYL)ETHYL)4(1ETHYL5METHYLPYRAZOL4YL)124TRIAZOLE3THIOL
5(1(35dimethyl4nitro1Hpyrazol1yl)ethyl)4(1ethyl5methyl1Hpyrazol4yl)4H124triazole3thiol
CCN1C(=C(C=N1)N2C(=NNC2=S)C(C)N3C(=C(C(=N3)C)(N+)(=O)(O))C)C
CCn1ncc(c1C)n1c(S)nnc1C(n1nc(c(c1C)(N+)(=O)(O))C)C
InChI=1SC15H20N8O2Sc16209(3)12(71620)2114(171815(21)26)11(5)2210(4)13(23(24)25)8(2)1922h711H6H215H3(H1826)
MFCD04134060
ZINC000002803217
ZINC000002803218

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Available files

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