Vitas-M small molecule compound

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

Catalog ID
STK627128
SMILES COCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)CC)/C2=O)CCOC

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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 C26H30N2O5 MW 450.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O5/c1-4-28-16-18(19-7-5-6-8-22(19)28)15-24-25(30)20-9-10-23(29)21(26(20)33-24)17-27(11-13-31-2)12-14-32-3/h5-10,15-16,29H,4,11-14,17H2,1-3H3/b24-15+
InChIKey
OAZWAECLWGNUCO-BUVRLJJBSA-N
Synonyms
929444-41-7
(2E)7((bis(2methoxyethyl)ammonio)methyl)2((1ethyl1Hindol3yl)methylidene)3oxo23dihydro1benzofuran6olate
(2E)7((bis(2methoxyethyl)azaniumyl)methyl)2((1ethylindol3yl)methylidene)3oxo1benzofuran6olate
929444417
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)(O))C(NH+)(CCOC)CCOC
COCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cccc3)CC)C2=O)CCOC
InChI=1SC26H30N2O5c14281618(19756822(19)28)152425(30)2091023(29)21(26(20)3324)1727(1113312)1214323h510151629H4111417H213H3b2415+
MFCD09793898
ZINC000020663686
ZINC20663686

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Available files

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