Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-(4-methoxybenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STL519739
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccc(cc1)OC)/C2=O
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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 C23H26N2O5 MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O5/c1-29-17-4-2-16(3-5-17)14-21-22(28)18-6-7-20(27)19(23(18)30-21)15-25-10-8-24(9-11-25)12-13-26/h2-7,14,26-27H,8-13,15H2,1H3/b21-14-InChIKey
OPOQTGWNJJKNTF-STZFKDTASA-NSynonyms
869078-53-5(2~(Z))7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2((4methoxyphenyl)methylidene)3oxo1benzofuran6olate
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2(4methoxybenzylidene)3oxo23dihydro1benzofuran6olate
53229750
869078535
MFCD06405818
ZINC000022468267
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