Vitas-M small molecule compound

methyl 3-(5-benzyl-3-hydroxy-1H-pyrazol-4-yl)-3-(2,3,4-trimethoxyphenyl)propanoate

Catalog ID
STL540064
SMILES COC(=O)CC(c1ccc(c(c1OC)OC)OC)c1c(O)n[nH]c1Cc1ccccc1

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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 C23H26N2O6 MW 426.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O6/c1-28-18-11-10-15(21(30-3)22(18)31-4)16(13-19(26)29-2)20-17(24-25-23(20)27)12-14-8-6-5-7-9-14/h5-11,16H,12-13H2,1-4H3,(H2,24,25,27)
InChIKey
XJATURZIQGVXQB-UHFFFAOYSA-N
Synonyms
1574477-94-3
1574477943
71827052
InChI=1SC23H26N2O6c12818111015(21(303)22(18)314)16(1319(26)292)2017(242523(20)27)12148657914h51116H1213H214H3(H2242527)
methyl3(3benzyl5oxo12dihydropyrazol4yl)3(234trimethoxyphenyl)propanoate
methyl3(5benzyl3hydroxy1Hpyrazol4yl)3(234trimethoxyphenyl)propanoate
METHYL3(5BENZYL3OXO23DIHYDRO1HPYRAZOL4YL)3(234TRIMETHOXYPHENYL)PROPANOATE
MFCD31754998
ZINC000096114258
ZINC000096114259

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Available files

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