Vitas-M small molecule compound

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

Catalog ID
STK399882
SMILES [O-][N+](=O)c1cn(nc1)CCc1nnc(n1CC)S

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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 C9H12N6O2S MW 268.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H12N6O2S/c1-2-14-8(11-12-9(14)18)3-4-13-6-7(5-10-13)15(16)17/h5-6H,2-4H2,1H3,(H,12,18)
InChIKey
ZOAKVMZRQCJSJK-UHFFFAOYSA-N
Synonyms
1003988-91-7
(O)(N+)(=O)c1cn(nc1)CCc1nnc(n1CC)S
1003988917
4ETHYL3(2(4NITROPYRAZOL1YL)ETHYL)1H124TRIAZOLE5THIONE
4ethyl5(2(4nitro1Hpyrazol1yl)ethyl)4H124triazole3thiol
CCN1C(=NNC1=S)CCN2C=C(C=N2)(N+)(=O)(O)
InChI=1SC9H12N6O2Sc12148(11129(14)18)341367(51013)15(16)17h56H24H21H3(H1218)
MFCD03423551
ZINC000005967886
ZINC05967886
ZINC5967886

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.