Vitas-M small molecule compound

methyl 5-(trinitromethyl)-2H-1,2,3-triazole-4-carboxylate

Catalog ID
STL333351
SMILES COC(=O)c1n[nH]nc1C([N+](=O)[O-])([N+](=O)[O-])[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 C5H4N6O8 MW 276.12 g/mol Purity >90% as per NMR
InChI
InChI=1S/C5H4N6O8/c1-19-4(12)2-3(7-8-6-2)5(9(13)14,10(15)16)11(17)18/h1H3,(H,6,7,8)
InChIKey
WRDVFRGABGFVSM-UHFFFAOYSA-N
Synonyms
383392-82-3
383392823
COC(=O)C1=NNN=C1C((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1n(nH)nc1C((N+)(=O)(O))((N+)(=O)(O))(N+)(=O)(O)
InChI=1SC5H4N6O8c1194(12)23(7862)5(9(13)1410(15)16)11(17)18h1H3(H678)
methyl5(trinitromethyl)2H123triazole4carboxylate
METHYL5(TRINITROMETHYL)2HTRIAZOLE4CARBOXYLATE
MFCD01087101
ZINC000100832930
ZINC100832930

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Available files

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