Vitas-M small molecule compound

(E)-(3,4-dimethoxyphenyl){1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxo-2-[4-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}methanolate

Catalog ID
STL037195
SMILES C=CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)OC)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 C29H34N2O7 MW 522.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34N2O7/c1-4-16-38-22-9-6-20(7-10-22)26-25(27(32)21-8-11-23(35-2)24(19-21)36-3)28(33)29(34)31(26)13-5-12-30-14-17-37-18-15-30/h4,6-11,19,26,32H,1,5,12-18H2,2-3H3/b27-25+
InChIKey
JTJUYQMEWIZJIP-IMVLJIQESA-N
Synonyms
615270-17-2
(4E)4((34DIMETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3MORPHOLIN4YLPROPYL)5(4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(34dimethoxyphenyl)(1(3(morpholin4ium4yl)propyl)45dioxo2(4(prop2en1yloxy)phenyl)pyrrolidin3ylidene)methanolate
(E)(34DIMETHOXYPHENYL)(1(3MORPHOLIN4IUM4YLPROPYL)45DIOXO2(4PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)METHANOLATE
4((34DIMETHOXYPHENYL)CARBONYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)5(4PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
615270172
C=CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)OC)OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
COC1=C(C=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=C(C=C4)OCC=C)O)OC
InChI=1SC29H34N2O7c141638229620(71022)2625(27(32)2181123(352)24(1921)363)28(33)29(34)31(26)1351230141737181530h4611192632H151218H223H3b2725+
MFCD18247380
ZINC000101293856
ZINC000101293860

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Available files

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