Vitas-M small molecule compound

methyl 3-(5-benzyl-3-hydroxy-1H-pyrazol-4-yl)-3-(4-hydroxy-3,5-dimethoxyphenyl)propanoate

Catalog ID
STL539976
SMILES COC(=O)CC(c1c([nH]nc1O)Cc1ccccc1)c1cc(OC)c(c(c1)OC)O

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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 C22H24N2O6 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O6/c1-28-17-10-14(11-18(29-2)21(17)26)15(12-19(25)30-3)20-16(23-24-22(20)27)9-13-7-5-4-6-8-13/h4-8,10-11,15,26H,9,12H2,1-3H3,(H2,23,24,27)
InChIKey
GWWVCJSJVWLJIB-UHFFFAOYSA-N
Synonyms
1574472-64-2
1574472642
71827030
InChI=1SC22H24N2O6c128171014(1118(292)21(17)26)15(1219(25)303)2016(232422(20)27)9137546813h4810111526H912H213H3(H2232427)
methyl3(3benzyl5oxo12dihydropyrazol4yl)3(4hydroxy35dimethoxyphenyl)propanoate
methyl3(5benzyl3hydroxy1Hpyrazol4yl)3(4hydroxy35dimethoxyphenyl)propanoate
METHYL3(5BENZYL3OXO23DIHYDRO1HPYRAZOL4YL)3(4HYDROXY35DIMETHOXYPHENYL)PROPANOATE
MFCD31754976
ZINC000096114285
ZINC000096114286

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.