Vitas-M small molecule compound
4-[1-acetyl-3-(1,3-benzodioxol-5-yl)-4,5-dihydro-1H-pyrazol-5-yl]benzoic acid
Catalog ID
STK506909
SMILES CC(=O)N1N=C(CC1c1ccc(cc1)C(=O)O)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 C19H16N2O5 MW 352.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O5/c1-11(22)21-16(12-2-4-13(5-3-12)19(23)24)9-15(20-21)14-6-7-17-18(8-14)26-10-25-17/h2-8,16H,9-10H2,1H3,(H,23,24)InChIKey
WVSWNNRGSPHBMB-UHFFFAOYSA-NSynonyms
4(1acetyl3(13benzodioxol5yl)45dihydro1Hpyrazol5yl)benzoicacid
4(2acetyl5(13benzodioxol5yl)34dihydropyrazol3yl)benzoicacid
4(3(2HBENZO(34D)13DIOXOLAN5YL)1ACETYL2PYRAZOLIN5YL)BENZOICACID
CC(=O)N1C(CC(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)C(=O)O
InChI=1SC19H16N2O5c111(22)2116(122413(5312)19(23)24)915(2021)14671718(814)26102517h2816H910H21H3(H2324)
MFCD13369030
ZINC000035655302
ZINC000035655303
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