Vitas-M small molecule compound

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

Catalog ID
STK627850
SMILES CCCC[NH+](Cc1c([O-])cc(c2c1O/C(=C\c1cc3c(o1)cccc3)/C2=O)C)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 C24H25NO4 MW 391.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25NO4/c1-4-5-10-25(3)14-18-19(26)11-15(2)22-23(27)21(29-24(18)22)13-17-12-16-8-6-7-9-20(16)28-17/h6-9,11-13,26H,4-5,10,14H2,1-3H3/b21-13-
InChIKey
OEDRSBTUTZUGKJ-BKUYFWCQSA-N
Synonyms
929836-37-3
(2Z)2(1benzofuran2ylmethylidene)7((butyl(methyl)amino)methyl)6hydroxy4methyl1benzofuran3one
(2Z)2(1benzofuran2ylmethylidene)7((butyl(methyl)ammonio)methyl)4methyl3oxo23dihydro1benzofuran6olate
2(BENZO(D)FURAN2YLMETHYLENE)7((BUTYLMETHYLAMINO)METHYL)6HYDROXY4METHYLBENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))cc(c2c1OC(=Cc1cc3c(o1)cccc3)C2=O)C)C
CCCCN(C)CC1=C(C=C(C2=C1OC(=CC3=CC4=CC=CC=C4O3)C2=O)C)O
InChI=1SC24H25NO4c1451025(3)141819(26)1115(2)2223(27)21(2924(18)22)13171216867920(16)2817h69111326H451014H213H3b2113
MFCD09794015
ZINC000020649450
ZINC20649450

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Available files

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