Vitas-M small molecule compound
(E)-(3-chloro-4-ethoxyphenyl){1-[3-(diethylammonio)propyl]-2-(4-methylphenyl)-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK566490
SMILES CCOc1ccc(cc1Cl)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C)CCC[NH+](CC)CC)/[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 C27H33ClN2O4 MW 485.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33ClN2O4/c1-5-29(6-2)15-8-16-30-24(19-11-9-18(4)10-12-19)23(26(32)27(30)33)25(31)20-13-14-22(34-7-3)21(28)17-20/h9-14,17,24,31H,5-8,15-16H2,1-4H3/b25-23+InChIKey
PDBYTLXGPLDMNG-WJTDDFOZSA-NSynonyms
636988-68-6(4E)4((3CHLORO4ETHOXYPHENYL)HYDROXYMETHYLIDENE)1(3(DIETHYLAMINO)PROPYL)5(4METHYLPHENYL)PYRROLIDINE23DIONE
(E)(3chloro4ethoxyphenyl)(1(3(diethylammonio)propyl)2(4methylphenyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4ETHOXYPHENYL)(1(3(DIETHYLAZANIUMYL)PROPYL)2(4METHYLPHENYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
1(3(DIETHYLAMINO)PROPYL)4((3CHLORO4ETHOXYPHENYL)CARBONYL)3HYDROXY5(4METHYLPHENYL)3PYRROLIN2ONE
636988686
CC(NH+)(CC)CCCN1C(C(=C(C2=CC(=C(C=C2)OCC)Cl)(O))C(=O)C1=O)C3=CC=C(C=C3)C
CCOc1ccc(cc1Cl)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C)CCC(NH+)(CC)CC)(O)
InChI=1SC27H33ClN2O4c1529(62)158163024(1911918(4)101219)23(26(32)27(30)33)25(31)20131422(3473)21(28)1720h914172431H581516H214H3b2523+
MFCD18245039
ZINC000008980360
ZINC000102542070
Check stock
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Check stock on Vitas-MAvailable files
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