Vitas-M small molecule compound
(E)-[4-(benzyloxy)-3-methylphenyl]{2-(4-hydroxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK566122
SMILES Oc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(c(c1)C)OCc1ccccc1)/[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 C32H34N2O6 MW 542.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34N2O6/c1-22-20-25(10-13-27(22)40-21-23-6-3-2-4-7-23)30(36)28-29(24-8-11-26(35)12-9-24)34(32(38)31(28)37)15-5-14-33-16-18-39-19-17-33/h2-4,6-13,20,29,35-36H,5,14-19,21H2,1H3/b30-28+InChIKey
PGMAMVSYXRACIX-SJCQXOIGSA-NSynonyms
496771-50-7(4E)4(HYDROXY(3METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)5(4HYDROXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4HYDROXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)3methylphenyl)(2(4hydroxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
496771507
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)O)O)OCC5=CC=CC=C5
InChI=1SC32H34N2O6c1222025(101327(22)4021236324723)30(36)2829(2481126(35)12924)34(32(38)31(28)37)1551433161839191733h2461320293536H5141921H21H3b3028+
MFCD18244953
Oc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(c(c1)C)OCc1ccccc1)(O)
ZINC000102539808
ZINC000102539819
Check stock
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Check stock on Vitas-MAvailable files
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