Vitas-M small molecule compound
dimethyl 1-(3-nitrophenyl)-1H-pyrazole-3,4-dicarboxylate
Catalog ID
STL435975
SMILES COC(=O)c1nn(cc1C(=O)OC)c1cccc(c1)[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 C13H11N3O6 MW 305.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H11N3O6/c1-21-12(17)10-7-15(14-11(10)13(18)22-2)8-4-3-5-9(6-8)16(19)20/h3-7H,1-2H3InChIKey
YTSLSPVFCSDKGS-UHFFFAOYSA-NSynonyms
COC(=O)C1=CN(N=C1C(=O)OC)C2=CC(=CC=C2)(N+)(=O)(O)
COC(=O)c1nn(cc1C(=O)OC)c1cccc(c1)(N+)(=O)(O)
dimethyl1(3nitrophenyl)1Hpyrazole34dicarboxylate
dimethyl1(3nitrophenyl)pyrazole34dicarboxylate
InChI=1SC13H11N3O6c12112(17)10715(1411(10)13(18)222)84359(68)16(19)20h37H12H3
MFCD30711881
ZINC000196379686
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