Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){2-(4-methylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK563245
SMILES COc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+]1CCOCC1)/[O-]
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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 C26H29ClN2O5 MW 484.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29ClN2O5/c1-17-4-6-18(7-5-17)23-22(24(30)19-8-9-21(33-2)20(27)16-19)25(31)26(32)29(23)11-3-10-28-12-14-34-15-13-28/h4-9,16,23,30H,3,10-15H2,1-2H3/b24-22+InChIKey
OEIWUMHGTFBZRV-ZNTNEXAZSA-NSynonyms
636987-60-5(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(4methylphenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(2(4METHYLPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
4((3CHLORO4METHOXYPHENYL)CARBONYL)3HYDROXY5(4METHYLPHENYL)1(3MORPHOLIN4YLPROPYL)3PYRROLIN2ONE
636987605
CC1=CC=C(C=C1)C2C(=C(C3=CC(=C(C=C3)OC)Cl)O)C(=O)C(=O)N2CCCN4CCOCC4
COc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)1CCOCC1)(O)
InChI=1SC26H29ClN2O5c1174618(7517)2322(24(30)198921(332)20(27)1619)25(31)26(32)29(23)1131028121434151328h49162330H31015H212H3b2422+
MFCD18244248
ZINC000009046315
ZINC000009046316
Check stock
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Check stock on Vitas-MAvailable files
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