Vitas-M small molecule compound
(E)-{2-(2,4-dichlorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Catalog ID
STK563246
SMILES COc1ccc(cc1)/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 C25H26Cl2N2O5 MW 505.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26Cl2N2O5/c1-33-18-6-3-16(4-7-18)23(30)21-22(19-8-5-17(26)15-20(19)27)29(25(32)24(21)31)10-2-9-28-11-13-34-14-12-28/h3-8,15,22,30H,2,9-14H2,1H3/b23-21+InChIKey
YLUIMXMPLIEYGA-XTQSDGFTSA-NSynonyms
489422-44-8(4E)5(24DICHLOROPHENYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(24dichlorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(2(24DICHLOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
489422448
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=C(C=C(C=C4)Cl)Cl)(O)
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1Cl)Cl)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H26Cl2N2O5c133186316(4718)23(30)2122(198517(26)1520(19)27)29(25(32)24(21)31)102928111334141228h38152230H2914H21H3b2321+
MFCD18244249
ZINC000102518979
ZINC000102518988
Check stock
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Check stock on Vitas-MAvailable files
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