Vitas-M small molecule compound
(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-[4-(propan-2-yl)phenyl]pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate
Catalog ID
STL044100
SMILES CC[NH+](CCN1C(=O)C(=O)/C(=C(\c2ccc(cc2)F)/[O-])/C1c1ccc(cc1)C(C)C)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 C26H31FN2O3 MW 438.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31FN2O3/c1-5-28(6-2)15-16-29-23(19-9-7-18(8-10-19)17(3)4)22(25(31)26(29)32)24(30)20-11-13-21(27)14-12-20/h7-14,17,23,30H,5-6,15-16H2,1-4H3/b24-22+InChIKey
MUJQIMGPFHXIBT-ZNTNEXAZSA-NSynonyms
615277-37-7(4E)1(2DIETHYLAMINOETHYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(4(propan2yl)phenyl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPAN2YLPHENYL)PYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(4(METHYLETHYL)PHENYL)3PYRROLIN2ONE
615277377
CC(NH+)(CC)CCN1C(C(=C(C2=CC=C(C=C2)F)(O))C(=O)C1=O)C3=CC=C(C=C3)C(C)C
CC(NH+)(CCN1C(=O)C(=O)C(=C(c2ccc(cc2)F)(O))C1c1ccc(cc1)C(C)C)CC
InChI=1SC26H31FN2O3c1528(62)15162923(199718(81019)17(3)4)22(25(31)26(29)32)24(30)20111321(27)141220h714172330H561516H214H3b2422+
MFCD18248347
ZINC000009271378
ZINC000009271379
Check stock
See real-time availability and sample size for STL044100 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.