Vitas-M small molecule compound
(E)-{2-(2,4-dichlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STL037778
SMILES COc1ccc(cc1C)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1Cl)Cl)CCC[NH+]1CCOCC1)/[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 C26H28Cl2N2O5 MW 519.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28Cl2N2O5/c1-16-14-17(4-7-21(16)34-2)24(31)22-23(19-6-5-18(27)15-20(19)28)30(26(33)25(22)32)9-3-8-29-10-12-35-13-11-29/h4-7,14-15,23,31H,3,8-13H2,1-2H3/b24-22+InChIKey
IVXUETYINGISCC-ZNTNEXAZSA-NSynonyms
498534-69-3(4E)5(24DICHLOROPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(24dichlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(24DICHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
498534693
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=C(C=C(C=C4)Cl)Cl)(O))OC
COc1ccc(cc1C)C(=C1C(=O)C(=O)N(C1c1ccc(cc1Cl)Cl)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H28Cl2N2O5c1161417(4721(16)342)24(31)2223(196518(27)1520(19)28)30(26(33)25(22)32)93829101235131129h4714152331H3813H212H3b2422+
MFCD18247487
ZINC000102859878
ZINC000102859880
Check stock
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Check stock on Vitas-MAvailable files
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