Vitas-M small molecule compound
(E)-{2-(2,4-dimethoxyphenyl)-1-[2-(dimethylammonio)ethyl]-4,5-dioxopyrrolidin-3-ylidene}[4-(2-methylpropoxy)phenyl]methanolate
Catalog ID
STL052913
SMILES COc1cc(OC)ccc1C1N(CC[NH+](C)C)C(=O)C(=O)/C/1=C(\c1ccc(cc1)OCC(C)C)/[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 C27H34N2O6 MW 482.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N2O6/c1-17(2)16-35-19-9-7-18(8-10-19)25(30)23-24(21-12-11-20(33-5)15-22(21)34-6)29(14-13-28(3)4)27(32)26(23)31/h7-12,15,17,24,30H,13-14,16H2,1-6H3/b25-23+InChIKey
IIECXURKVVRBPT-WJTDDFOZSA-NSynonyms
845637-82-3(4E)5(24DIMETHOXYPHENYL)1(2DIMETHYLAMINOETHYL)4(HYDROXY(4(2METHYLPROPOXY)PHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(24dimethoxyphenyl)1(2(dimethylammonio)ethyl)45dioxopyrrolidin3ylidene)(4(2methylpropoxy)phenyl)methanolate
(E)(2(24DIMETHOXYPHENYL)1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXOPYRROLIDIN3YLIDENE)(4(2METHYLPROPOXY)PHENYL)METHANOLATE
845637823
CC(C)COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=C(C=C(C=C3)OC)OC)(O)
COc1cc(OC)ccc1C1N(CC(NH+)(C)C)C(=O)C(=O)C1=C(c1ccc(cc1)OCC(C)C)(O)
InChI=1SC27H34N2O6c117(2)1635199718(81019)25(30)2324(21121120(335)1522(21)346)29(141328(3)4)27(32)26(23)31h71215172430H131416H216H3b2523+
MFCD18249501
ZINC000102890199
ZINC000102890200
Check stock
See real-time availability and sample size for STL052913 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.