Vitas-M small molecule compound

3-(2,5-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde

Catalog ID
STK702142
SMILES O=Cc1cn(nc1c1cc(C)ccc1C)c1ccccc1

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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 C18H16N2O MW 276.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O/c1-13-8-9-14(2)17(10-13)18-15(12-21)11-20(19-18)16-6-4-3-5-7-16/h3-12H,1-2H3
InChIKey
NHVUHDIUOSIOKY-UHFFFAOYSA-N
Synonyms
431073-03-9
(3(25DIMETHYLPHENYL)1PHENYLPYRAZOL4YL)FORMALDEHYDE
(31PHENYLPYRAZOL4YL)FORMALDEHYDE
3(25dimethylphenyl)1phenyl1Hpyrazole4carbaldehyde
3(25DIMETHYLPHENYL)1PHENYLPYRAZOLE4CARBALDEHYDE
431073039
CC1=CC(=C(C=C1)C)C2=NN(C=C2C=O)C3=CC=CC=C3
InChI=1SC18H16N2Oc1138914(2)17(1013)1815(1221)1120(1918)166435716h312H12H3
MFCD03139889
ZINC000000301735
ZINC00301735
ZINC301735

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Available files

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