Vitas-M small molecule compound
4-[3-(1,3-benzodioxol-5-yl)-5-(2-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobutanoic acid
Catalog ID
STL200288
SMILES COc1cccc(c1O)C1CC(=NN1C(=O)CCC(=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 C21H20N2O7 MW 412.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O7/c1-28-17-4-2-3-13(21(17)27)15-10-14(22-23(15)19(24)7-8-20(25)26)12-5-6-16-18(9-12)30-11-29-16/h2-6,9,15,27H,7-8,10-11H2,1H3,(H,25,26)InChIKey
YHOQPQIREBXUEO-UHFFFAOYSA-NSynonyms
1403233-74-81403233748
4(3(13benzodioxol5yl)5(2hydroxy3methoxyphenyl)45dihydro1Hpyrazol1yl)4oxobutanoicacid
4(5(13benzodioxol5yl)3(2hydroxy3methoxyphenyl)34dihydropyrazol2yl)4oxobutanoicacid
COC1=CC=CC(=C1O)C2CC(=NN2C(=O)CCC(=O)O)C3=CC4=C(C=C3)OCO4
InChI=1SC21H20N2O7c1281742313(21(17)27)151014(2223(15)19(24)7820(25)26)12561618(912)30112916h2691527H781011H21H3(H2526)
MFCD23700953
ZINC000080316173
ZINC000080316177
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