Vitas-M small molecule compound
(E)-{2-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-[3-(dimethylammonio)propyl]-4,5-dioxopyrrolidin-3-ylidene}(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methanolate
Catalog ID
STL046873
SMILES COc1cc(cc(c1O)Br)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\[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 C26H29BrN2O6 MW 545.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN2O6/c1-14-10-16-11-15(6-7-19(16)35-14)23(30)21-22(17-12-18(27)24(31)20(13-17)34-4)29(26(33)25(21)32)9-5-8-28(2)3/h6-7,11-14,22,30-31H,5,8-10H2,1-4H3/b23-21+InChIKey
MUDLMOQOFJLZEE-XTQSDGFTSA-NSynonyms
578003-61-9(4E)5(3BROMO4HYDROXY5METHOXYPHENYL)1(3(DIMETHYLAMINO)PROPYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(2(3bromo4hydroxy5methoxyphenyl)1(3(dimethylammonio)propyl)45dioxopyrrolidin3ylidene)(2methyl23dihydro1benzofuran5yl)methanolate
(E)(2(3BROMO4HYDROXY5METHOXYPHENYL)1(3(DIMETHYLAZANIUMYL)PROPYL)45DIOXOPYRROLIDIN3YLIDENE)(2METHYL23DIHYDRO1BENZOFURAN5YL)METHANOLATE
578003619
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)CCCN(C)C)C4=CC(=C(C(=C4)Br)O)OC)O
COc1cc(cc(c1O)Br)C1C(=C(c2ccc3c(c2)CC(O3)C)(O))C(=O)C(=O)N1CCC(NH+)(C)C
InChI=1SC26H29BrN2O6c11410161115(6719(16)3514)23(30)2122(171218(27)24(31)20(1317)344)29(26(33)25(21)32)95828(2)3h671114223031H5810H214H3b2321+
MFCD18248942
ZINC000102881625
ZINC000102881633
Check stock
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