Vitas-M small molecule compound

(E)-(4-fluorophenyl){2-(furan-2-yl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate

Catalog ID
STK566162
SMILES Fc1ccc(cc1)/C(=C\1/C(c2ccco2)N(C(=O)C1=O)CCC[NH+]1CCOCC1)/[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 C22H23FN2O5 MW 414.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O5/c23-16-6-4-15(5-7-16)20(26)18-19(17-3-1-12-30-17)25(22(28)21(18)27)9-2-8-24-10-13-29-14-11-24/h1,3-7,12,19,26H,2,8-11,13-14H2/b20-18+
InChIKey
DBKROYIROXBXMS-CZIZESTLSA-N
Synonyms

(4E)4((4FLUOROPHENYL)HYDROXYMETHYLIDENE)5(FURAN2YL)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(4fluorophenyl)(2(furan2yl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)methanolate
(E)(4FLUOROPHENYL)(2(FURAN2YL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
C1COCC(NH+)1CCCN2C(C(=C(C3=CC=C(C=C3)F)(O))C(=O)C2=O)C4=CC=CO4
Fc1ccc(cc1)C(=C1C(c2ccco2)N(C(=O)C1=O)CCC(NH+)1CCOCC1)(O)
InChI=1SC22H23FN2O5c23166415(5716)20(26)1819(1731123017)25(22(28)21(18)27)92824101329141124h137121926H28111314H2b2018+
MFCD18244965
ZINC000102540060
ZINC000102540065

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Available files

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