Vitas-M small molecule compound

4-hexanoyl-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK365600
SMILES CCCCCC(=O)C1C(=NN(C1=O)c1ccccc1)C

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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 C16H20N2O2 MW 272.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H20N2O2/c1-3-4-6-11-14(19)15-12(2)17-18(16(15)20)13-9-7-5-8-10-13/h5,7-10,15H,3-4,6,11H2,1-2H3
InChIKey
IIMXGOZCAZBYLL-UHFFFAOYSA-N
Synonyms

2PYRAZOLIN5ONE4HEXANOYL3METHYL1PHENYL
3HPYRAZOL3ONE24DIHYDRO5METHYL4(1OXOHEXYL)2PHENYL
4HEXANOYL3METHYL1PHENYL2PYRAZOLIN5ONE
4hexanoyl5methyl2phenyl24dihydro3Hpyrazol3one
4HEXANOYL5METHYL2PHENYL4HPYRAZOL3ONE
CCCCCC(=O)C1C(=NN(C1=O)C2=CC=CC=C2)C
InChI=1SC16H20N2O2c13461114(19)1512(2)1718(16(15)20)1397581013h571015H34611H212H3
MFCD00426619
ZINC000004013745
ZINC000100080500

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Available files

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