Vitas-M small molecule compound

2,5-bis(3-methyl-1H-pyrazol-2-ium-1-yl)benzene-1,4-diolate

Catalog ID
STK561728
SMILES [O-]c1cc(c(cc1n1ccc([nH+]1)C)[O-])n1ccc([nH+]1)C

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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 C14H14N4O2 MW 270.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H14N4O2/c1-9-3-5-17(15-9)11-7-14(20)12(8-13(11)19)18-6-4-10(2)16-18/h3-8,19-20H,1-2H3
InChIKey
RCPNIBODRNLYST-UHFFFAOYSA-N
Synonyms

(O)c1cc(c(cc1n1ccc((nH+)1)C)(O))n1ccc((nH+)1)C
25bis(3methyl1Hpyrazol2ium1yl)benzene14diolate
25BIS(3METHYLPYRAZOL1YL)BENZENE14DIOL
25BIS(3METHYLPYRAZOLYL)BENZENE14DIOL
CC1=NN(C=C1)C2=CC(=C(C=C2O)N3C=CC(=N3)C)O
InChI=1SC14H14N4O2c193517(159)11714(20)12(813(11)19)186410(2)1618h381920H12H3
MFCD01993062
ZINC000000169286
ZINC00169286
ZINC169286

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Available files

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