Vitas-M small molecule compound
(E)-(3-chloro-4-methoxyphenyl){2-(2,5-dimethoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STL040084
SMILES COc1ccc(c(c1)C1/C(=C(/c2ccc(c(c2)Cl)OC)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C)OC
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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 C25H29ClN2O6 MW 488.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN2O6/c1-27(2)11-6-12-28-22(17-14-16(32-3)8-10-19(17)33-4)21(24(30)25(28)31)23(29)15-7-9-20(34-5)18(26)13-15/h7-10,13-14,22,29H,6,11-12H2,1-5H3/b23-21+InChIKey
LGKIMWOXOTUABN-XTQSDGFTSA-NSynonyms
636987-39-8(4E)4((3CHLORO4METHOXYPHENYL)HYDROXYMETHYLIDENE)5(25DIMETHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(3chloro4methoxyphenyl)(2(25dimethoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(3CHLORO4METHOXYPHENYL)(2(25DIMETHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
636987398
CN(C)CCCN1C(C(=C(C2=CC(=C(C=C2)OC)Cl)O)C(=O)C1=O)C3=C(C=CC(=C3)OC)OC
COc1ccc(c(c1)C1C(=C(c2ccc(c(c2)Cl)OC)(O))C(=O)C(=O)N1CCC(NH+)(C)C)OC
InChI=1SC25H29ClN2O6c127(2)116122822(171416(323)81019(17)334)21(24(30)25(28)31)23(29)157920(345)18(26)1315h71013142229H61112H215H3b2321+
MFCD18247952
ZINC000008837626
ZINC000008902747
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.