Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(3-propoxyphenyl)pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Catalog ID
STL043719
SMILES CCCOc1cccc(c1)C1/C(=C(/c2ccc(cc2)F)\[O-])/C(=O)C(=O)N1CC[NH+](CC)CC
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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 C26H31FN2O4 MW 454.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31FN2O4/c1-4-16-33-21-9-7-8-19(17-21)23-22(24(30)18-10-12-20(27)13-11-18)25(31)26(32)29(23)15-14-28(5-2)6-3/h7-13,17,23,30H,4-6,14-16H2,1-3H3/b24-22+InChIKey
CTBSUBRAQRJWGK-ZNTNEXAZSA-NSynonyms
620142-71-4(4E)1(2DIETHYLAMINOETHYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(3propoxyphenyl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(3PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(3PROPOXYPHENYL)3PYRROLIN2ONE
620142714
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC=C(C=C3)F)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCOc1cccc(c1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC26H31FN2O4c1416332197819(1721)2322(24(30)18101220(27)131118)25(31)26(32)29(23)151428(52)63h713172330H461416H213H3b2422+
MFCD18248273
ZINC000102872536
ZINC000102872538
Check stock
See real-time availability and sample size for STL043719 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.