Vitas-M small molecule compound
4-[3-(1,3-benzodioxol-5-yl)-5-(2-hydroxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STL227137
SMILES OC(=O)CCC(=O)N1N=C(CC1c1ccccc1O)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 C20H18N2O6 MW 382.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O6/c23-16-4-2-1-3-13(16)15-10-14(21-22(15)19(24)7-8-20(25)26)12-5-6-17-18(9-12)28-11-27-17/h1-6,9,15,23H,7-8,10-11H2,(H,25,26)InChIKey
LVGBRZJEZFPQRT-UHFFFAOYSA-NSynonyms
1403233-48-61403233486
4(3(13benzodioxol5yl)5(2hydroxyphenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(13benzodioxol5yl)3(2hydroxyphenyl)34dihydropyrazol2yl)4oxobutanoicacid
C1C(N(N=C1C2=CC3=C(C=C2)OCO3)C(=O)CCC(=O)O)C4=CC=CC=C4O
InChI=1SC20H18N2O6c2316421313(16)151014(2122(15)19(24)7820(25)26)12561718(912)28112717h1691523H781011H2(H2526)
MFCD23700963
ZINC000080316289
ZINC000080316294
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