Vitas-M small molecule compound

3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzoic acid

Catalog ID
STK298443
SMILES Cc1nn(c(c1)C)Cc1cccc(c1)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 C13H14N2O2 MW 230.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O2/c1-9-6-10(2)15(14-9)8-11-4-3-5-12(7-11)13(16)17/h3-7H,8H2,1-2H3,(H,16,17)
InChIKey
WWFUQDPIXVPKQB-UHFFFAOYSA-N
Synonyms
376359-05-6
3((35DIMETHYL1HPYRAZOL1YL)METHYL)BENZOICACID
3((35DIMETHYLPYRAZOL1YL)METHYL)BENZOICACID
3((35DIMETHYLPYRAZOLYL)METHYL)BENZOICACID
3(35DIMETHYLPYRAZOL1YLMETHYL)BENZOICACID
376359056
BENZOICACID3((35DIMETHYL1HPYRAZOL1YL)METHYL)
CC1=CC(=NN1CC2=CC=CC(=C2)C(=O)O)C
InChI=1SC13H14N2O2c19610(2)15(149)81143512(711)13(16)17h37H8H212H3(H1617)
MFCD01114897
ZINC000000335382
ZINC335382

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Available files

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