Vitas-M small molecule compound

(2Z)-7-[(dibutylammonio)methyl]-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-olate

Catalog ID
STK619690
SMILES CCCC[NH+](Cc1c([O-])ccc2c1O/C(=C\c1sccc1C)/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 C23H29NO3S MW 399.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO3S/c1-4-6-11-24(12-7-5-2)15-18-19(25)9-8-17-22(26)20(27-23(17)18)14-21-16(3)10-13-28-21/h8-10,13-14,25H,4-7,11-12,15H2,1-3H3/b20-14-
InChIKey
QVAZLLGQZPRBHZ-ZHZULCJRSA-N
Synonyms
929457-13-6
(2Z)7((dibutylammonio)methyl)2((3methylthiophen2yl)methylidene)3oxo23dihydro1benzofuran6olate
7((DIBUTYLAMINO)METHYL)6HYDROXY2((3METHYL(2THIENYL))METHYLENE)BENZO(B)FURAN3ONE
CCCC(NH+)(Cc1c((O))ccc2c1OC(=Cc1sccc1C)C2=O)CCCC
MFCD09796379
ZINC000020625005
ZINC20625005

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Available files

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