Vitas-M small molecule compound

(E)-(4-methylphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}methanolate

Catalog ID
STK558986
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)C)\[O-])/C(=O)C(=O)N1CCC[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 C28H34N2O5 MW 478.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O5/c1-3-16-35-23-7-4-6-22(19-23)25-24(26(31)21-10-8-20(2)9-11-21)27(32)28(33)30(25)13-5-12-29-14-17-34-18-15-29/h4,6-11,19,25,31H,3,5,12-18H2,1-2H3/b26-24+
InChIKey
CKOWALJGTYYVOO-SHHOIMCASA-N
Synonyms
613220-34-1
(4E)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(4methylphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)methanolate
(E)(4METHYLPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
3HYDROXY4((4METHYLPHENYL)CARBONYL)1(3MORPHOLIN4YLPROPYL)5(3PROPOXYPHENYL)3PYRROLIN2ONE
613220341
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)C)O)C(=O)C(=O)N2CCCN4CCOCC4
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)C)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC28H34N2O5c1316352374622(1923)2524(26(31)2110820(2)91121)27(32)28(33)30(25)1351229141734181529h4611192531H351218H212H3b2624+
MFCD18243161
ZINC000008896747
ZINC000102483716

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Available files

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