Vitas-M small molecule compound

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

Catalog ID
STK309548
SMILES CCn1ncc(c1C)n1c(nnc1S)CCn1ccc(n1)[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/c1-3-19-9(2)10(8-14-19)20-11(15-16-13(20)24)4-6-18-7-5-12(17-18)21(22)23/h5,7-8H,3-4,6H2,1-2H3,(H,16,24)
InChIKey
SGOHDMTWJWKJRI-UHFFFAOYSA-N
Synonyms
1005589-87-6
1005589876
4(1ethyl5methyl1Hpyrazol4yl)5(2(3nitro1Hpyrazol1yl)ethyl)4H124triazole3thiol
4(1ETHYL5METHYLPYRAZOL4YL)3(2(3NITROPYRAZOL1YL)ETHYL)1H124TRIAZOLE5THIONE
CCN1C(=C(C=N1)N2C(=NNC2=S)CCN3C=CC(=N3)(N+)(=O)(O))C
CCn1ncc(c1C)n1c(nnc1S)CCn1ccc(n1)(N+)(=O)(O)
InChI=1SC13H16N8O2Sc13199(2)10(81419)2011(151613(20)24)46187512(1718)21(22)23h578H346H212H3(H1624)
MFCD04133804
ZINC000002802209
ZINC2802209

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Available files

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