Vitas-M small molecule compound
4-ethyl-5-[2-(3-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazole-3-thiol
Catalog ID
STK306372
SMILES [O-][N+](=O)c1ccn(n1)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/c1-2-14-7(10-11-9(14)18)3-5-13-6-4-8(12-13)15(16)17/h4,6H,2-3,5H2,1H3,(H,11,18)InChIKey
QOCCPOXERKJSMD-UHFFFAOYSA-NSynonyms
1005585-20-5(O)(N+)(=O)c1ccn(n1)CCc1nnc(n1CC)S
1005585205
4ETHYL3(2(3NITROPYRAZOL1YL)ETHYL)1H124TRIAZOLE5THIONE
4ethyl5(2(3nitro1Hpyrazol1yl)ethyl)4H124triazole3thiol
CCN1C(=NNC1=S)CCN2C=CC(=N2)(N+)(=O)(O)
InChI=1SC9H12N6O2Sc12147(10119(14)18)3513648(1213)15(16)17h46H235H21H3(H1118)
MFCD04047922
ZINC000008339794
ZINC08339794
ZINC8339794
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