Vitas-M small molecule compound

(E)-{2-(3,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate

Catalog ID
STL149824
SMILES COc1ccc(cc1OC)C1/C(=C(/c2ccc(c(c2)C)OC)\[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 C28H34N2O7 MW 510.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O7/c1-18-16-20(7-8-21(18)34-2)26(31)24-25(19-6-9-22(35-3)23(17-19)36-4)30(28(33)27(24)32)11-5-10-29-12-14-37-15-13-29/h6-9,16-17,25,31H,5,10-15H2,1-4H3/b26-24+
InChIKey
QWRAUUSIDUEKNC-SHHOIMCASA-N
Synonyms
460046-04-2
(4E)5(34DIMETHOXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(34dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(34DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
460046042
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=C(C=C4)OC)OC)(O))OC
COc1ccc(cc1OC)C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC28H34N2O7c1181620(7821(18)342)26(31)2425(196922(353)23(1719)364)30(28(33)27(24)32)1151029121437151329h6916172531H51015H214H3b2624+
MFCD20755682
ZINC000102929446
ZINC000102929448

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Available files

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