Vitas-M small molecule compound
(2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-7-{[butyl(methyl)ammonio]methyl}-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK619814
SMILES CCCC[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)ccc(c3)Br)/C2=O)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 C24H24BrNO4 MW 470.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24BrNO4/c1-4-5-8-26(3)13-18-19(27)9-14(2)22-23(28)21(30-24(18)22)12-17-11-15-10-16(25)6-7-20(15)29-17/h6-7,9-12,27H,4-5,8,13H2,1-3H3/b21-12-InChIKey
VRUUNMIPXBSLSV-MTJSOVHGSA-NSynonyms
929827-49-6(2Z)2((5bromo1benzofuran2yl)methylidene)7((butyl(methyl)amino)methyl)6hydroxy4methyl1benzofuran3one
(2Z)2((5bromo1benzofuran2yl)methylidene)7((butyl(methyl)ammonio)methyl)4methyl3oxo23dihydro1benzofuran6olate
2((5BROMOBENZO(D)FURAN2YL)METHYLENE)7((BUTYLMETHYLAMINO)METHYL)6HYDROXY4METHYLBENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)ccc(c3)Br)C2=O)C)C
CCCCN(C)CC1=C(C=C(C2=C1OC(=CC3=CC4=C(O3)C=CC(=C4)Br)C2=O)C)O
InChI=1SC24H24BrNO4c145826(3)131819(27)914(2)2223(28)21(3024(18)22)121711151016(25)6720(15)2917h6791227H45813H213H3b2112
MFCD09796738
ZINC000020647738
ZINC20647738
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