Vitas-M small molecule compound
(E)-{2-(3-fluorophenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(4-methoxyphenyl)methanolate
Catalog ID
STK565750
SMILES COc1ccc(cc1)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)F)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 C25H27FN2O5 MW 454.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27FN2O5/c1-32-20-8-6-17(7-9-20)23(29)21-22(18-4-2-5-19(26)16-18)28(25(31)24(21)30)11-3-10-27-12-14-33-15-13-27/h2,4-9,16,22,29H,3,10-15H2,1H3/b23-21+InChIKey
YXOBCIFNDNAPME-XTQSDGFTSA-NSynonyms
497229-64-8(4E)5(3FLUOROPHENYL)4(HYDROXY(4METHOXYPHENYL)METHYLIDENE)1(3MORPHOLIN4YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3fluorophenyl)1(3(morpholin4ium4yl)propyl)45dioxopyrrolidin3ylidene)(4methoxyphenyl)methanolate
(E)(2(3FLUOROPHENYL)1(3MORPHOLIN4IUM4YLPROPYL)45DIOXOPYRROLIDIN3YLIDENE)(4METHOXYPHENYL)METHANOLATE
497229648
COC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CCC(NH+)3CCOCC3)C4=CC(=CC=C4)F)(O)
COc1ccc(cc1)C(=C1C(=O)C(=O)N(C1c1cccc(c1)F)CCC(NH+)1CCOCC1)(O)
InChI=1SC25H27FN2O5c132208617(7920)23(29)2122(1842519(26)1618)28(25(31)24(21)30)1131027121433151327h249162229H31015H21H3b2321+
MFCD18244864
ZINC000102537157
ZINC000102537164
Check stock
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Check stock on Vitas-MAvailable files
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