Vitas-M small molecule compound
1-[5-(1,3-benzodioxol-5-yl)-3-(1-benzofuran-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethanone
Catalog ID
STL433894
SMILES CC(=O)N1N=C(CC1c1ccc2c(c1)OCO2)c1cc2c(o1)cccc2
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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 C20H16N2O4 MW 348.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N2O4/c1-12(23)22-16(13-6-7-18-20(8-13)25-11-24-18)10-15(21-22)19-9-14-4-2-3-5-17(14)26-19/h2-9,16H,10-11H2,1H3InChIKey
XPGTXBNXHHXKMX-UHFFFAOYSA-NSynonyms
1(3(13benzodioxol5yl)5(1benzofuran2yl)34dihydropyrazol2yl)ethanone
1(5(13benzodioxol5yl)3(1benzofuran2yl)45dihydro1Hpyrazol1yl)ethanone
CC(=O)N1C(CC(=N1)C2=CC3=CC=CC=C3O2)C4=CC5=C(C=C4)OCO5
InChI=1SC20H16N2O4c112(23)2216(13671820(813)25112418)1015(2122)19914423517(14)2619h2916H1011H21H3
MFCD26098163
ZINC000078547579
ZINC000078547584
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