Vitas-M small molecule compound

1-benzyl-3,5-dimethyl-1H-pyrazole-4-carbaldehyde

Catalog ID
STK125342
SMILES O=Cc1c(C)nn(c1C)Cc1ccccc1

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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 C13H14N2O MW 214.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N2O/c1-10-13(9-16)11(2)15(14-10)8-12-6-4-3-5-7-12/h3-7,9H,8H2,1-2H3
InChIKey
KQZFABYWVRTOFK-UHFFFAOYSA-N
Synonyms
2644-94-2
1BENZYL35DIMETHYL1HPYRAZOLE4CARBALDEHYDE
1BENZYL35DIMETHYLPYRAZOLE4CARBALDEHYDE
1HPYRAZOLE4CARBOXALDEHYDE35DIMETHYL1(PHENYLMETHYL)
2644942
35DIMETHYL1BENZYLPYRAZOLE4CARBALDEHYDE
CC1=C(C(=NN1CC2=CC=CC=C2)C)C=O
InChI=1SC13H14N2Oc11013(916)11(2)15(1410)8126435712h379H8H212H3
MFCD03988527
ZINC000000586738
ZINC00586738
ZINC586738

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Available files

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