Vitas-M small molecule compound

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

Catalog ID
STK562425
SMILES CCOc1ccc(cc1)C1/C(=C(/c2ccc(c(c2)Cl)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 C27H31ClN2O6 MW 515.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31ClN2O6/c1-3-36-20-8-5-18(6-9-20)24-23(25(31)19-7-10-22(34-2)21(28)17-19)26(32)27(33)30(24)12-4-11-29-13-15-35-16-14-29/h5-10,17,24,31H,3-4,11-16H2,1-2H3/b25-23+
InChIKey
FKGWEMMATWJMDN-WJTDDFOZSA-N
Synonyms
636987-67-2
(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(4ETHOXYPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(4ethoxyphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(2(4ETHOXYPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((3CHLORO4METHOXYPHENYL)CARBONYL)5(4ETHOXYPHENYL)3HYDROXY1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
636987672
CCOC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)O)C(=O)C(=O)N2CCCN4CCOCC4
CCOc1ccc(cc1)C1C(=C(c2ccc(c(c2)Cl)OC)(O))C(=O)C(=O)N1CCC(NH+)1CCOCC1
InChI=1SC27H31ClN2O6c1336208518(6920)2423(25(31)1971022(342)21(28)1719)26(32)27(33)30(24)1241129131535161429h510172431H341116H212H3b2523+
MFCD18244043
ZINC000008988015
ZINC000008988020

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Available files

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