Vitas-M small molecule compound

4-(1H-benzotriazol-1-yl)-3,5-dinitrobenzoic acid

Catalog ID
STK537828
SMILES [O-][N+](=O)c1cc(cc(c1n1nnc2c1cccc2)[N+](=O)[O-])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 C13H7N5O6 MW 329.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H7N5O6/c19-13(20)7-5-10(17(21)22)12(11(6-7)18(23)24)16-9-4-2-1-3-8(9)14-15-16/h1-6H,(H,19,20)
InChIKey
DBNZJNNMRBIANQ-UHFFFAOYSA-N
Synonyms
312947-88-9
(O)(N+)(=O)c1cc(cc(c1n1nnc2c1cccc2)(N+)(=O)(O))C(=O)O
312947889
4(1Hbenzo(d)(123)triazol1yl)35dinitrobenzoicacid
4(1Hbenzotriazol1yl)35dinitrobenzoicacid
4(BENZOTRIAZOL1YL)35DINITROBENZOICACID
C1=CC=C2C(=C1)N=NN2C3=C(C=C(C=C3(N+)(=O)(O))C(=O)O)(N+)(=O)(O)
InChI=1SC13H7N5O6c1913(20)7510(17(21)22)12(11(67)18(23)24)16942138(9)141516h16H(H1920)
MFCD02086985
ZINC000002306438
ZINC2306438

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Available files

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