Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(4-ethoxyphenyl)methanolate
Catalog ID
STK563293
SMILES CCOc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CC[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 C25H29FN2O4 MW 440.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29FN2O4/c1-4-27(5-2)15-16-28-22(19-9-7-8-10-20(19)26)21(24(30)25(28)31)23(29)17-11-13-18(14-12-17)32-6-3/h7-14,22,29H,4-6,15-16H2,1-3H3/b23-21+InChIKey
IIQGJPJARNVJRG-XTQSDGFTSA-NSynonyms
615270-09-2(4E)1(2DIETHYLAMINOETHYL)4((4ETHOXYPHENYL)HYDROXYMETHYLIDENE)5(2FLUOROPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(4ethoxyphenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(4ETHOXYPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)4((4ETHOXYPHENYL)CARBONYL)5(2FLUOROPHENYL)3HYDROXY3PYRROLIN2ONE
615270092
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)OCC)(O))C(=O)C1=O)C3=CC=CC=C3F
CCOc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CC(NH+)(CC)CC)(O)
InChI=1SC25H29FN2O4c1427(52)15162822(199781020(19)26)21(24(30)25(28)31)23(29)17111318(141217)3263h7142229H461516H213H3b2321+
MFCD18244260
ZINC000009241025
ZINC000009241027
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.