Vitas-M small molecule compound
(E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2,3-dihydro-1,4-benzodioxin-6-yl)methanolate
Catalog ID
STL040563
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)OCCO3)\[O-])/C(=O)C(=O)N1CCC[NH+](C)C
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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 C25H27BrN2O7 MW 547.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27BrN2O7/c1-27(2)7-4-8-28-21(15-11-16(26)23(30)19(13-15)33-3)20(24(31)25(28)32)22(29)14-5-6-17-18(12-14)35-10-9-34-17/h5-6,11-13,21,29-30H,4,7-10H2,1-3H3/b22-20+InChIKey
QJLQYXRWMKLTHY-LSDHQDQOSA-NSynonyms
577960-65-7(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(3(DIMETHYLAMINO)PROPYL)PYRROLIDINE23DIONE
(E)(2(3bromo4hydroxy5methoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(23dihydro14benzodioxin6yl)methanolate
(E)(2(3BROMO4HYDROXY5METHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(23DIHYDRO14BENZODIOXIN6YL)METHANOLATE
577960657
CN(C)CCCN1C(C(=C(C2=CC3=C(C=C2)OCCO3)O)C(=O)C1=O)C4=CC(=C(C(=C4)Br)O)OC
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)OCCO3)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC25H27BrN2O7c127(2)7482821(151116(26)23(30)19(1315)333)20(24(31)25(28)32)22(29)14561718(1214)351093417h561113212930H4710H213H3b2220+
MFCD18248043
ZINC000102866459
ZINC000102866462
Check stock
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Check stock on Vitas-MAvailable files
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