Vitas-M small molecule compound

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

Catalog ID
STK855963
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1ccco1)/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 C22H27NO4 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO4/c1-3-5-11-23(12-6-4-2)15-18-19(24)10-9-17-21(25)20(27-22(17)18)14-16-8-7-13-26-16/h7-10,13-14,24H,3-6,11-12,15H2,1-2H3/b20-14-
InChIKey
XCZKYEHGLIXNSF-ZHZULCJRSA-N
Synonyms
929457-05-6
(2Z)7((dibutylamino)methyl)2(furan2ylmethylidene)6hydroxy1benzofuran3one
(2Z)7((dibutylammonio)methyl)2(furan2ylmethylidene)3oxo23dihydro1benzofuran6olate
929457056
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1ccco1)C2=O)CCCC
CCCCN(CCCC)CC1=C(C=CC2=C1OC(=CC3=CC=CO3)C2=O)O
InChI=1SC22H27NO4c1351123(12642)151819(24)1091721(25)20(2722(17)18)141687132616h710131424H36111215H212H3b2014
MFCD09789685
ZINC000020646461

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Available files

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