Vitas-M small molecule compound
(E)-{2-(3-methoxy-4-propoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL043950
SMILES CCCOc1ccc(cc1OC)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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 C28H34N2O6 MW 494.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O6/c1-4-15-36-22-10-9-21(18-23(22)34-3)25-24(26(31)20-7-5-19(2)6-8-20)27(32)28(33)30(25)12-11-29-13-16-35-17-14-29/h5-10,18,25,31H,4,11-17H2,1-3H3/b26-24+InChIKey
FFSSDNJJEMYJGL-SHHOIMCASA-NSynonyms
636990-54-0(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)5(3METHOXY4PROPOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3methoxy4propoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(2(3METHOXY4PROPOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
3HYDROXY5(3METHOXY4PROPOXYPHENYL)4((4METHYLPHENYL)CARBONYL)1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
636990540
CCCOC1=C(C=C(C=C1)C2C(=C(C3=CC=C(C=C3)C)O)C(=O)C(=O)N2CCN4CCOCC4)OC
CCCOc1ccc(cc1OC)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC28H34N2O6c1415362210921(1823(22)343)2524(26(31)207519(2)6820)27(32)28(33)30(25)121129131635171429h510182531H41117H213H3b2624+
MFCD18248320
ZINC000008980397
ZINC000102874530
Check stock
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Check stock on Vitas-MAvailable files
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