Vitas-M small molecule compound
(E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[3-(1H-imidazol-3-ium-1-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STK566912
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCCn1cc[nH+]c1
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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 C26H24BrN3O7 MW 570.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24BrN3O7/c1-35-20-13-16(11-17(27)24(20)32)22-21(23(31)15-3-4-18-19(12-15)37-10-9-36-18)25(33)26(34)30(22)7-2-6-29-8-5-28-14-29/h3-5,8,11-14,22,31-32H,2,6-7,9-10H2,1H3/b23-21+InChIKey
ZJFKPRSJQDUMNW-XTQSDGFTSA-NSynonyms
(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3IMIDAZOL1YLPROPYL)PYRROLIDINE23DIONE
(E)(2(3bromo4hydroxy5methoxyphenyl)1(3(1Himidazol3ium1yl)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
COC1=C(C(=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2CCCN5C=CN=C5)Br)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCCn1cc(nH+)c1
InChI=1SC26H24BrN3O7c135201316(1117(27)24(20)32)2221(23(31)15341819(1215)371093618)25(33)26(34)30(22)7262985281429h3581114223132H267910H21H3b2321+
MFCD18245117
ZINC000102544609
ZINC000102544618
Check stock
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Check stock on Vitas-MAvailable files
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