Vitas-M small molecule compound
(2E)-7-[(dibutylammonio)methyl]-2-[(1-ethyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK623094
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)CC)/C2=O)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 C28H34N2O3 MW 446.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34N2O3/c1-4-7-15-29(16-8-5-2)19-23-25(31)14-13-22-27(32)26(33-28(22)23)17-20-18-30(6-3)24-12-10-9-11-21(20)24/h9-14,17-18,31H,4-8,15-16,19H2,1-3H3/b26-17+InChIKey
WEINRUDCSGIPGT-YZSQISJMSA-NSynonyms
929512-73-2(2E)7((dibutylammonio)methyl)2((1ethyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
(2E)7((dibutylazaniumyl)methyl)2((1ethylindol3yl)methylidene)3oxo1benzofuran6olate
929512732
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cccc3)CC)C2=O)CCCC
CCCC(NH+)(CCCC)CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)CC)C2=O)(O)
InChI=1SC28H34N2O3c1471529(16852)192325(31)14132227(32)26(3328(22)23)17201830(63)24121091121(20)24h914171831H48151619H213H3b2617+
MFCD09798006
ZINC000020648360
ZINC20648360
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