Vitas-M small molecule compound

5-nitro-2H-1,2,3-triazole-4-carboxylic acid

Catalog ID
STK681086
SMILES OC(=O)c1n[nH]nc1[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 C3H2N4O4 MW 158.07 g/mol Purity >90% as per NMR
InChI
InChI=1S/C3H2N4O4/c8-3(9)1-2(7(10)11)5-6-4-1/h(H,8,9)(H,4,5,6)
InChIKey
KUSAQLMAEMVDRO-UHFFFAOYSA-N
Synonyms
145769-54-6
145769546
1H123TRIAZOLE4CARBOXYLICACID5NITRO
2H123TRIAZOLE4CARBOXYLICACID5NITRO
5NITRO123TRIAZOLE4CARBOXYLICACID
5NITRO1H123TRIAZOLE4CARBOXYLICACID
5nitro2H123triazole4carboxylicacid
5NITRO2HTRIAZOLE4CARBOXYLICACID
C1(=NNN=C1(N+)(=O)(O))C(=O)O
InChI=1SC3H2N4O4c83(9)12(7(10)11)5641h(H89)(H456)
MFCD03410230
OC(=O)c1n(nH)nc1(N+)(=O)(O)
ZINC000004342478
ZINC4342478

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Available files

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