Vitas-M small molecule compound

3-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid

Catalog ID
STK346649
SMILES [O-][N+](=O)c1ncn(n1)Cc1cccc(c1)C(=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 C10H8N4O4 MW 248.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C10H8N4O4/c15-9(16)8-3-1-2-7(4-8)5-13-6-11-10(12-13)14(17)18/h1-4,6H,5H2,(H,15,16)
InChIKey
PBPBRUBGUQMZBF-UHFFFAOYSA-N
Synonyms
374920-73-7
(O)(N+)(=O)c1ncn(n1)Cc1cccc(c1)C(=O)O
3((3NITRO124TRIAZOL1YL)METHYL)BENZOICACID
3((3NITRO124TRIAZOLYL)METHYL)BENZOICACID
3((3NITRO1H124TRIAZOL1YL)METHYL)BENZOICACID
3(3NITRO(124)TRIAZOL1YLMETHYL)BENZOICACID
374920737
C1=CC(=CC(=C1)CN2C=NC(=N2)(N+)(=O)(O))C(=O)O
InChI=1SC10H8N4O4c159(16)83127(48)51361110(1213)14(17)18h146H5H2(H1516)
MFCD01114896
ZINC000000335381
ZINC335381

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Available files

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