Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-4,5-dioxo-2-[3-(prop-2-en-1-yloxy)phenyl]pyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STL039902
SMILES C=CCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)OCC)\[O-])/C(=O)C(=O)N1CC[NH+](C)C
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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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-5-16-33-21-9-7-8-19(17-21)23-22(25(30)26(31)28(23)15-14-27(3)4)24(29)18-10-12-20(13-11-18)32-6-2/h5,7-13,17,23,29H,1,6,14-16H2,2-4H3/b24-22+InChIKey
XTYQQIADFZNYJV-ZNTNEXAZSA-NSynonyms
620122-94-3(4E)1(2DIMETHYLAMINOETHYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)45dioxo2(3(prop2en1yloxy)phenyl)pyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROP2ENOXYPHENYL)PYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
1(2(DIMETHYLAMINO)ETHYL)4((4ETHOXYPHENYL)CARBONYL)3HYDROXY5(3PROP2ENYLOXYPHENYL)3PYRROLIN2ONE
620122943
C=CCOc1cccc(c1)C1C(=C(c2ccc(cc2)OCC)(O))C(=O)C(=O)N1CC(NH+)(C)C
CCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(NH+)(C)C)C3=CC(=CC=C3)OCC=C)(O)
InChI=1SC26H30N2O5c1516332197819(1721)2322(25(30)26(31)28(23)151427(3)4)24(29)18101220(131118)3262h5713172329H161416H224H3b2422+
MFCD18247914
ZINC000101313564
ZINC000101313569
Check stock
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Check stock on Vitas-MAvailable files
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