Vitas-M small molecule compound
6-bromo-4-[(dimethylammonio)methyl]-3-(ethoxycarbonyl)-2-methyl-1-benzofuran-5-olate
Catalog ID
STL055239
SMILES CCOC(=O)c1c(C)oc2c1c(C[NH+](C)C)c(c(c2)Br)[O-]
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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 C15H18BrNO4 MW 356.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H18BrNO4/c1-5-20-15(19)12-8(2)21-11-6-10(16)14(18)9(13(11)12)7-17(3)4/h6,18H,5,7H2,1-4H3InChIKey
PDFOXVIMQJRLDC-UHFFFAOYSA-NSynonyms
352549-76-9352549769
6bromo4((dimethylammonio)methyl)3(ethoxycarbonyl)2methyl1benzofuran5olate
6BROMO4((DIMETHYLAZANIUMYL)METHYL)3ETHOXYCARBONYL2METHYL1BENZOFURAN5OLATE
CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN(C)C)O)Br)C
CCOC(=O)c1c(C)oc2c1c(C(NH+)(C)C)c(c(c2)Br)(O)
ETHYL6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY2METHYL1BENZOFURAN3CARBOXYLATE
ETHYL6BROMO4(DIMETHYLAMINOMETHYL)5HYDROXY2METHYL1BENZOFURAN3CARBOXYLATE
InChI=1SC15H18BrNO4c152015(19)128(2)2111610(16)14(18)9(13(11)12)717(3)4h618H57H214H3
MFCD02053501
ZINC000019790815
ZINC19790815
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