Vitas-M small molecule compound
methyl 4-[1-(4-chlorobenzyl)-4-hydroxy-3-(4-methoxyphenyl)-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]benzoate
Catalog ID
STK884968
SMILES COc1ccc(cc1)C1=C(O)C(=O)N(C1c1ccc(cc1)C(=O)OC)Cc1ccc(cc1)Cl
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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 C26H22ClNO5 MW 463.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22ClNO5/c1-32-21-13-9-17(10-14-21)22-23(18-5-7-19(8-6-18)26(31)33-2)28(25(30)24(22)29)15-16-3-11-20(27)12-4-16/h3-14,23,29H,15H2,1-2H3InChIKey
KKDOIWBKJMITDG-UHFFFAOYSA-NSynonyms
COC1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=C(C=C3)C(=O)OC)CC4=CC=C(C=C4)Cl)O
InChI=1SC26H22ClNO5c1322113917(101421)2223(185719(8618)26(31)332)28(25(30)24(22)29)151631120(27)12416h3142329H15H212H3
methyl4(1((4chlorophenyl)methyl)4hydroxy3(4methoxyphenyl)5oxo2Hpyrrol2yl)benzoate
methyl4(1(4chlorobenzyl)4hydroxy3(4methoxyphenyl)5oxo25dihydro1Hpyrrol2yl)benzoate
MFCD18171851
ZINC000040485677
ZINC000040485680
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