Vitas-M small molecule compound
1-[3-(1,3-benzodioxol-5-yl)-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl]butan-1-one
Catalog ID
STK617383
SMILES CCCC(=O)N1N=C(CC1c1ccc2c(c1)nccn2)c1ccc2c(c1)OCO2
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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 C22H20N4O3 MW 388.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3/c1-2-3-22(27)26-19(15-4-6-16-18(10-15)24-9-8-23-16)12-17(25-26)14-5-7-20-21(11-14)29-13-28-20/h4-11,19H,2-3,12-13H2,1H3InChIKey
ITRZUMSQOLTIRI-UHFFFAOYSA-NSynonyms
949223-48-71(3(13benzodioxol5yl)5(quinoxalin6yl)45dihydro1Hpyrazol1yl)butan1one
1(3(benzo(d)(13)dioxol5yl)5(quinoxalin6yl)45dihydro1Hpyrazol1yl)butan1one
1(5(13benzodioxol5yl)3quinoxalin6yl34dihydropyrazol2yl)butan1one
949223487
CCCC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC5=NC=CN=C5C=C4
InChI=1SC22H20N4O3c12322(27)2619(15461618(1015)24982316)1217(2526)14572021(1114)29132820h41119H231213H21H3
MFCD09856408
ZINC000012981280
ZINC000012981282
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