Vitas-M small molecule compound

1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone

Catalog ID
STK731500
SMILES Cc1nn(c(c1)C)C(=O)c1ccc2c(c1)OCO2

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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 C13H12N2O3 MW 244.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12N2O3/c1-8-5-9(2)15(14-8)13(16)10-3-4-11-12(6-10)18-7-17-11/h3-6H,7H2,1-2H3
InChIKey
IXCICYVXWKMZOL-UHFFFAOYSA-N
Synonyms
108132-58-7
1(13BENZODIOXOL5YLCARBONYL)35DIMETHYL1HPYRAZOLE
108132587
13benzodioxol5yl(35dimethyl1Hpyrazol1yl)methanone
13BENZODIOXOL5YL(35DIMETHYL1PYRAZOLYL)METHANONE
13BENZODIOXOL5YL(35DIMETHYLPYRAZOL1YL)METHANONE
1HPYRAZOLE1(13BENZODIOXOL5YLCARBONYL)35DIMETHYL
BENZO(13)DIOXOL5YL(35DIMETHYLPYRAZOL1YL)METHANONE
benzo(d)(13)dioxol5yl(35dimethyl1Hpyrazol1yl)methanone
CC1=CC(=NN1C(=O)C2=CC3=C(C=C2)OCO3)C
InChI=1SC13H12N2O3c1859(2)15(148)13(16)10341112(610)1871711h36H7H212H3
METHANONE13BENZODIOXOL5YL(35DIMETHYL1HPYRAZOL1YL)
MFCD01693723
ZINC000000053493
ZINC00053493
ZINC53493

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Available files

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