Vitas-M small molecule compound

methyl 3-[5-(2,3-dihydro-1-benzofuran-5-ylmethyl)-3-hydroxy-1H-pyrazol-4-yl]-3-(4-hydroxyphenyl)propanoate

Catalog ID
STL540021
SMILES COC(=O)CC(c1c(O)n[nH]c1Cc1ccc2c(c1)CCO2)c1ccc(cc1)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 C22H22N2O5 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N2O5/c1-28-20(26)12-17(14-3-5-16(25)6-4-14)21-18(23-24-22(21)27)11-13-2-7-19-15(10-13)8-9-29-19/h2-7,10,17,25H,8-9,11-12H2,1H3,(H2,23,24,27)
InChIKey
ZDQVKGHDIITHNB-UHFFFAOYSA-N
Synonyms
1574346-74-9
1574346749
75356979
InChI=1SC22H22N2O5c12820(26)1217(143516(25)6414)2118(232422(21)27)1113271915(1013)892919h27101725H891112H21H3(H2232427)
methyl3(3(23dihydro1benzofuran5ylmethyl)5oxo12dihydropyrazol4yl)3(4hydroxyphenyl)propanoate
METHYL3(5((23DIHYDROBENZOFURAN5YL)METHYL)3OXO23DIHYDRO1HPYRAZOL4YL)3(4HYDROXYPHENYL)PROPANOATE
methyl3(5(23dihydro1benzofuran5ylmethyl)3hydroxy1Hpyrazol4yl)3(4hydroxyphenyl)propanoate
MFCD31754988
ZINC000096222530
ZINC000096222532

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Available files

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