Vitas-M small molecule compound

(2E)-7-{[butyl(methyl)ammonio]methyl}-2-[(1-ethyl-1H-indol-3-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK619263
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)CC)/C2=O)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 C25H28N2O3 MW 404.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N2O3/c1-4-6-13-26(3)16-20-22(28)12-11-19-24(29)23(30-25(19)20)14-17-15-27(5-2)21-10-8-7-9-18(17)21/h7-12,14-15,28H,4-6,13,16H2,1-3H3/b23-14+
InChIKey
ULSHRMKFWYKLSU-OEAKJJBVSA-N
Synonyms
929402-51-7
(2E)7((butyl(methyl)ammonio)methyl)2((1ethyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
(2E)7((butyl(methyl)azaniumyl)methyl)2((1ethylindol3yl)methylidene)3oxo1benzofuran6olate
929402517
CCCC(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CN(C4=CC=CC=C43)CC)C2=O)(O)
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cccc3)CC)C2=O)C
InChI=1SC25H28N2O3c1461326(3)162022(28)12111924(29)23(3025(19)20)14171527(52)211087918(17)21h712141528H461316H213H3b2314+
MFCD09793467
ZINC000020650068
ZINC20650068

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Available files

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