Vitas-M small molecule compound

(2E)-2-(1-benzofuran-2-ylmethylidene)-7-[(dibutylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK620188
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C/c1cc3c(o1)cccc3)/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 C26H29NO4 MW 419.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO4/c1-3-5-13-27(14-6-4-2)17-21-22(28)12-11-20-25(29)24(31-26(20)21)16-19-15-18-9-7-8-10-23(18)30-19/h7-12,15-16,28H,3-6,13-14,17H2,1-2H3/b24-16+
InChIKey
DDALFVGDOGDAGQ-LFVJCYFKSA-N
Synonyms
929814-18-6
(2E)2(1benzofuran2ylmethylidene)7((dibutylammonio)methyl)3oxo23dihydro1benzofuran6olate
(2E)2(1benzofuran2ylmethylidene)7((dibutylazaniumyl)methyl)3oxo1benzofuran6olate
929814186
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc3c(o1)cccc3)C2=O)CCCC
CCCC(NH+)(CCCC)CC1=C(C=CC2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)(O)
InChI=1SC26H29NO4c1351327(14642)172122(28)12112025(29)24(3126(20)21)161915189781023(18)3019h712151628H36131417H212H3b2416+
MFCD09792016
ZINC000020646517
ZINC20646517

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Available files

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