Vitas-M small molecule compound
(E)-[4-(benzyloxy)-2-methylphenyl]{2-(4-chlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL045956
SMILES Clc1ccc(cc1)C1N(CCC[NH+]2CCOCC2)C(=O)C(=O)/C/1=C(\c1ccc(cc1C)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 C32H33ClN2O5 MW 561.08 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H33ClN2O5/c1-22-20-26(40-21-23-6-3-2-4-7-23)12-13-27(22)30(36)28-29(24-8-10-25(33)11-9-24)35(32(38)31(28)37)15-5-14-34-16-18-39-19-17-34/h2-4,6-13,20,29,36H,5,14-19,21H2,1H3/b30-28+InChIKey
AUDKGVBSVVTTQP-SJCQXOIGSA-NSynonyms
(4E)5(4CHLOROPHENYL)4(HYDROXY(2METHYL4PHENYLMETHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(4CHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL4PHENYLMETHOXYPHENYL)METHANOLATE
(E)(4(benzyloxy)2methylphenyl)(2(4chlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
CC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=C3C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=C(C=C5)Cl)O
Clc1ccc(cc1)C1N(CCC(NH+)2CCOCC2)C(=O)C(=O)C1=C(c1ccc(cc1C)OCc1ccccc1)(O)
InChI=1SC32H33ClN2O5c1222026(4021236324723)121327(22)30(36)2829(2481025(33)11924)35(32(38)31(28)37)1551434161839191734h24613202936H5141921H21H3b3028+
MFCD18248750
ZINC000102879079
ZINC000102879082
Check stock
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Check stock on Vitas-MAvailable files
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