Vitas-M small molecule compound
(E)-{2-(2-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methylphenyl)methanolate
Catalog ID
STL047854
SMILES Cc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)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 C25H27FN2O4 MW 438.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN2O4/c1-17-7-9-18(10-8-17)23(29)21-22(19-5-2-3-6-20(19)26)28(25(31)24(21)30)12-4-11-27-13-15-32-16-14-27/h2-3,5-10,22,29H,4,11-16H2,1H3/b23-21+InChIKey
WQJZWLKBMKRALW-XTQSDGFTSA-NSynonyms
381204-86-0(4E)5(2FLUOROPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(2fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
(E)(2(2FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHYLPHENYL)METHANOLATE
381204860
5(2FLUOROPHENYL)3HYDROXY4(4METHYLBENZOYL)1(3MORPHOLIN4YLPROPYL)15DIHYDROPYRROL2ONE
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCCN3CCOCC3)C4=CC=CC=C4F)O
Cc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H27FN2O4c1177918(10817)23(29)2122(19523620(19)26)28(25(31)24(21)30)1241127131532161427h235102229H41116H21H3b2321+
MFCD18249153
ZINC000102883920
ZINC000102883923
Check stock
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Check stock on Vitas-MAvailable files
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