Vitas-M small molecule compound

2-(3,4-dimethylphenyl)-5-methyl-4-propyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK631118
SMILES CCCc1c(C)[nH]n(c1=O)c1ccc(c(c1)C)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 C15H20N2O MW 244.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H20N2O/c1-5-6-14-12(4)16-17(15(14)18)13-8-7-10(2)11(3)9-13/h7-9,16H,5-6H2,1-4H3
InChIKey
DWCBRAPMOLBWFE-UHFFFAOYSA-N
Synonyms
925632-85-5
1(34DIMETHYLPHENYL)3METHYL4PROPYLPYRAZOL5OL
2(34dimethylphenyl)5methyl4propyl12dihydro3Hpyrazol3one
2(34dimethylphenyl)5methyl4propyl1Hpyrazol3one
925632855
CCCC1=C(NN(C1=O)C2=CC(=C(C=C2)C)C)C
CCCc1c(C)(nH)n(c1=O)c1ccc(c(c1)C)C
InChI=1SC15H20N2Oc1561412(4)1617(15(14)18)138710(2)11(3)913h7916H56H214H3
MFCD09795041
ZINC000009937133
ZINC09937133
ZINC100072158
ZINC9937133

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Available files

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