Vitas-M small molecule compound
4-[(3-nitro-1H-1,2,4-triazol-1-yl)methyl]benzoic acid
Catalog ID
STK033894
SMILES [O-][N+](=O)c1ncn(n1)Cc1ccc(cc1)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)8-3-1-7(2-4-8)5-13-6-11-10(12-13)14(17)18/h1-4,6H,5H2,(H,15,16)InChIKey
PIXUDTSYBZWQLQ-UHFFFAOYSA-NSynonyms
402720-88-1(O)(N+)(=O)c1ncn(n1)Cc1ccc(cc1)C(=O)O
4((3NITRO124TRIAZOL1YL)METHYL)BENZOICACID
4((3NITRO124TRIAZOLYL)METHYL)BENZOICACID
4((3NITRO1H124TRIAZOL1YL)METHYL)BENZOICACID
4(3NITRO(124)TRIAZOL1YLMETHYL)BENZOICACID
402720881
C1=CC(=CC=C1CN2C=NC(=N2)(N+)(=O)(O))C(=O)O
InChI=1SC10H8N4O4c159(16)8317(248)51361110(1213)14(17)18h146H5H2(H1516)
MFCD01114882
STK033894
ZINC000000522758
ZINC522758
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