Vitas-M small molecule compound
(2E)-2-(1-benzofuran-2-ylmethylidene)-7-[(dibutylammonio)methyl]-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK618781
SMILES CCCC[NH+](Cc1c([O-])cc(c2c1O/C(=C/c1cc3c(o1)cccc3)/C2=O)C)CCCC
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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 C27H31NO4 MW 433.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31NO4/c1-4-6-12-28(13-7-5-2)17-21-22(29)14-18(3)25-26(30)24(32-27(21)25)16-20-15-19-10-8-9-11-23(19)31-20/h8-11,14-16,29H,4-7,12-13,17H2,1-3H3/b24-16+InChIKey
RCYVTNDOESHAPC-LFVJCYFKSA-NSynonyms
929827-87-2(2E)2(1benzofuran2ylmethylidene)7((dibutylammonio)methyl)4methyl3oxo23dihydro1benzofuran6olate
(2E)2(1benzofuran2ylmethylidene)7((dibutylazaniumyl)methyl)4methyl3oxo1benzofuran6olate
929827872
CCCC(NH+)(Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C)CCCC
CCCC(NH+)(CCCC)CC1=C(C=C(C2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)C)(O)
InChI=1SC27H31NO4c1461228(13752)172122(29)1418(3)2526(30)24(3227(21)25)1620151910891123(19)3120h811141629H47121317H213H3b2416+
MFCD09796742
ZINC000020649852
ZINC20649852
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