Vitas-M small molecule compound

(2E)-2-(1-benzofuran-2-ylmethylidene)-7-{[bis(2-methoxyethyl)ammonio]methyl}-4-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK856398
SMILES COCC[NH+](Cc1c([O-])cc(c2c1O/C(=C/c1cc3c(o1)cccc3)/C2=O)C)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 C25H27NO6 MW 437.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27NO6/c1-16-12-20(27)19(15-26(8-10-29-2)9-11-30-3)25-23(16)24(28)22(32-25)14-18-13-17-6-4-5-7-21(17)31-18/h4-7,12-14,27H,8-11,15H2,1-3H3/b22-14+
InChIKey
XAPZQBQPWXAQQB-HYARGMPZSA-N
Synonyms

(2E)2(1benzofuran2ylmethylidene)7((bis(2methoxyethyl)amino)methyl)6hydroxy4methyl1benzofuran3one
(2E)2(1benzofuran2ylmethylidene)7((bis(2methoxyethyl)ammonio)methyl)4methyl3oxo23dihydro1benzofuran6olate
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC4=CC=CC=C4O3)O2)CN(CCOC)CCOC)O
COCC(NH+)(Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C)CCOC
InChI=1SC25H27NO6c1161220(27)19(1526(810292)911303)2523(16)24(28)22(3225)14181317645721(17)3118h47121427H81115H213H3b2214+
MFCD09789395
ZINC000020650275
ZINC20650275

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Available files

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