Vitas-M small molecule compound
(E)-{2-(2,4-dimethoxyphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxy-3-methylphenyl)methanolate
Catalog ID
STK563022
SMILES COc1ccc(c(c1)OC)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/c1-18-16-19(6-9-22(18)35-3)26(31)24-25(21-8-7-20(34-2)17-23(21)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
HTJPBMMCXKRFEG-SHHOIMCASA-NSynonyms
460045-99-2(4E)5(24DIMETHOXYPHENYL)4(HYDROXY(4METHOXY3METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(24dimethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxy3methylphenyl)methanolate
(E)(2(24DIMETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXY3METHYLPHENYL)METHANOLATE
460045992
CC1=C(C=CC(=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=C(C=C(C=C4)OC)OC)O)OC
COc1ccc(c(c1)OC)C1C(=C(c2ccc(c(c2)C)OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC28H34N2O7c1181619(6922(18)353)26(31)2425(218720(342)1723(21)364)30(28(33)27(24)32)1151029121437151329h6916172531H51015H214H3b2624+
MFCD18244189
ZINC000102517157
ZINC000102517166
Check stock
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Check stock on Vitas-MAvailable files
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