Vitas-M small molecule compound
(E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[2-(morpholin-4-ium-4-yl)ethyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK568044
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CC[NH+]1CCOCC1
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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 C26H27BrN2O8 MW 575.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27BrN2O8/c1-34-20-14-16(12-17(27)24(20)31)22-21(23(30)15-2-3-18-19(13-15)37-11-10-36-18)25(32)26(33)29(22)5-4-28-6-8-35-9-7-28/h2-3,12-14,22,30-31H,4-11H2,1H3/b23-21+InChIKey
JWHUMJSOOGMNAI-XTQSDGFTSA-NSynonyms
(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(2MORPHOLIN4YLETHYL)PYRROLIDINE23DIONE
(E)(2(3bromo4hydroxy5methoxyphenyl)1(2(morpholin4ium4yl)ethyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(3BROMO4HYDROXY5METHOXYPHENYL)1(2MORPHOLIN4IUM4YLETHYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
COC1=C(C(=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)(O))C(=O)C(=O)N2CC(NH+)5CCOCC5)Br)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CC(NH+)1CCOCC1
InChI=1SC26H27BrN2O8c134201416(1217(27)24(20)31)2221(23(30)15231819(1315)3711103618)25(32)26(33)29(22)542868359728h231214223031H411H21H3b2321+
MFCD18245198
ZINC000102550401
ZINC000102550408
Check stock
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Check stock on Vitas-MAvailable files
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