Vitas-M small molecule compound
(E)-2,3-dihydro-1,4-benzodioxin-6-yl{2-(2-fluorophenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}methanolate
Catalog ID
STK567189
SMILES [O-]/C(=C\1/C(=O)C(=O)N(C1c1ccccc1F)CC[NH+]1CCOCC1)/c1ccc2c(c1)OCCO2
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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 C25H25FN2O6 MW 468.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25FN2O6/c26-18-4-2-1-3-17(18)22-21(23(29)16-5-6-19-20(15-16)34-14-13-33-19)24(30)25(31)28(22)8-7-27-9-11-32-12-10-27/h1-6,15,22,29H,7-14H2/b23-21+InChIKey
BLZSCKMYRSAYJS-XTQSDGFTSA-NSynonyms
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(2FLUOROPHENYL)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)23dihydro14benzodioxin6yl(2(2fluorophenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)methanolate
(E)23DIHYDRO14BENZODIOXIN6YL(2(2FLUOROPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)METHANOLATE
(O)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CC(NH+)1CCOCC1)c1ccc2c(c1)OCCO2
C1COCC(NH+)1CCN2C(C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C2=O)C5=CC=CC=C5F
InChI=1SC25H25FN2O6c2618421317(18)2221(23(29)16561920(1516)3414133319)24(30)25(31)28(22)872791132121027h16152229H714H2b2321+
MFCD18245138
ZINC000009356837
ZINC000009356838
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.