Vitas-M small molecule compound

(E)-{1-[2-(diethylammonio)ethyl]-4,5-dioxo-2-(4-propoxyphenyl)pyrrolidin-3-ylidene}(4-fluorophenyl)methanolate

Catalog ID
STL044303
SMILES CCCOc1ccc(cc1)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/c1-4-17-33-21-13-9-18(10-14-21)23-22(24(30)19-7-11-20(27)12-8-19)25(31)26(32)29(23)16-15-28(5-2)6-3/h7-14,23,30H,4-6,15-17H2,1-3H3/b24-22+
InChIKey
WBJRKXRKMOHZDH-ZNTNEXAZSA-N
Synonyms
636991-59-8
(4E)1(2DIETHYLAMINOETHYL)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(4PROPOXYPHENYL)PYRROLIDINE23DIONE
(E)(1(2(diethylammonio)ethyl)45dioxo2(4propoxyphenyl)pyrrolidin3ylidene)(4fluorophenyl)methanolate
(E)(1(2(DIETHYLAZANIUMYL)ETHYL)45DIOXO2(4PROPOXYPHENYL)PYRROLIDIN3YLIDENE)(4FLUOROPHENYL)METHANOLATE
1(2(DIETHYLAMINO)ETHYL)4((4FLUOROPHENYL)CARBONYL)3HYDROXY5(4PROPOXYPHENYL)3PYRROLIN2ONE
636991598
CCCOC1=CC=C(C=C1)C2C(=C(C3=CC=C(C=C3)F)(O))C(=O)C(=O)N2CC(NH+)(CC)CC
CCCOc1ccc(cc1)C1C(=C(c2ccc(cc2)F)(O))C(=O)C(=O)N1CC(NH+)(CC)CC
InChI=1SC26H31FN2O4c1417332113918(101421)2322(24(30)1971120(27)12819)25(31)26(32)29(23)161528(52)63h7142330H461517H213H3b2422+
MFCD18248395
ZINC000009135747
ZINC000009135749

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.