Vitas-M small molecule compound
(E)-{2-(4-methylphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-propoxyphenyl)methanolate
Catalog ID
STK561614
SMILES CCCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CC[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 C27H32N2O5 MW 464.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O5/c1-3-16-34-22-10-8-21(9-11-22)25(30)23-24(20-6-4-19(2)5-7-20)29(27(32)26(23)31)13-12-28-14-17-33-18-15-28/h4-11,24,30H,3,12-18H2,1-2H3/b25-23+InChIKey
SALNJKULMZVTGN-WJTDDFOZSA-NSynonyms
615276-34-1(4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)5(4METHYLPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(4methylphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4propoxyphenyl)methanolate
(E)(2(4METHYLPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4PROPOXYPHENYL)METHANOLATE
3HYDROXY5(4METHYLPHENYL)1(2MORPHOLIN4YLETHYL)4((4PROPOXYPHENYL)CARBONYL)3PYRROLIN2ONE
615276341
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCN3CCOCC3)C4=CC=C(C=C4)C)O
CCCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CC(NH+)1CCOCC1)(O)
InChI=1SC27H32N2O5c1316342210821(91122)25(30)2324(206419(2)5720)29(27(32)26(23)31)131228141733181528h4112430H31218H212H3b2523+
MFCD18243838
ZINC000102505511
ZINC000102505522
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.