Vitas-M small molecule compound

1-[3-phenyl-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one

Catalog ID
STK619626
SMILES CCCC(=O)N1N=C(CC1c1ccc2c(c1)nccn2)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 C21H20N4O MW 344.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O/c1-2-6-21(26)25-20(14-18(24-25)15-7-4-3-5-8-15)16-9-10-17-19(13-16)23-12-11-22-17/h3-5,7-13,20H,2,6,14H2,1H3
InChIKey
FPFUJJBMKMJVIY-UHFFFAOYSA-N
Synonyms
951946-75-1
1(3phenyl5(quinoxalin6yl)45dihydro1Hpyrazol1yl)butan1one
1(5phenyl3quinoxalin6yl34dihydropyrazol2yl)butan1one
951946751
CCCC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CC4=NC=CN=C4C=C3
InChI=1SC21H20N4Oc12621(26)2520(1418(2425)157435815)169101719(1316)2312112217h3571320H2614H21H3
MFCD09854968
ZINC000013720793
ZINC000013720794

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Available files

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