Vitas-M small molecule compound

4-nitro-2-(prop-2-yn-1-yl)-2H-1,2,3-triazole

Catalog ID
STK763683
SMILES C#CCn1ncc(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 C5H4N4O2 MW 152.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C5H4N4O2/c1-2-3-8-6-4-5(7-8)9(10)11/h1,4H,3H2
InChIKey
BEWXXSLHSORSGF-UHFFFAOYSA-N
Synonyms

4nitro2(prop2yn1yl)2H123triazole
4NITRO2PROP2YNYL123TRIAZOLE
4NITRO2PROP2YNYLTRIAZOLE
C#CCN1N=CC(=N1)(N+)(=O)(O)
C#CCn1ncc(n1)(N+)(=O)(O)
InChI=1SC5H4N4O2c1238645(78)9(10)11h14H3H2
MFCD03035234
ZINC000001067075
ZINC01067075
ZINC1067075

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Available files

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