Vitas-M small molecule compound

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

Catalog ID
STL037306
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)OC)OC)\[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 C27H32N2O7 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O7/c1-4-36-20-8-5-18(6-9-20)24-23(25(30)19-7-10-21(33-2)22(17-19)34-3)26(31)27(32)29(24)12-11-28-13-15-35-16-14-28/h5-10,17,24,30H,4,11-16H2,1-3H3/b25-23+
InChIKey
FRAALUVFFGNGGW-WJTDDFOZSA-N
Synonyms
615271-45-9
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXYPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(2(4ethoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(2(4ETHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)5(4ETHOXYPHENYL)3HYDROXY1(2MORPHOLIN4YLETHYL)3PYRROLIN2ONE
4(34DIMETHOXYBENZOYL)5(4ETHOXYPHENYL)3HYDROXY1(2(4MORPHOLINYL)ETHYL)15DIHYDRO2HPYRROL2ONE
615271459
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)OC)(O))C(=O)C(=O)N2CC(NH+)4CCOCC4
CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)OC)OC)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC27H32N2O7c1436208518(6920)2423(25(30)1971021(332)22(1719)343)26(31)27(32)29(24)121128131535161428h510172430H41116H213H3b2523+
MFCD18247397
ZINC000009044144
ZINC000009044147

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Available files

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