Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-2-(2-methylbenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK580111
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1ccccc1C)/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 C23H26N2O4 MW 394.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O4/c1-16-4-2-3-5-17(16)14-21-22(28)18-6-7-20(27)19(23(18)29-21)15-25-10-8-24(9-11-25)12-13-26/h2-7,14,26-27H,8-13,15H2,1H3/b21-14-InChIKey
WUJJWLUMPHSVER-STZFKDTASA-NSynonyms
896597-26-5(2Z)6HYDROXY7((4(2HYDROXYETHYL)PIPERAZIN1YL)METHYL)2((2METHYLPHENYL)METHYLIDENE)1BENZOFURAN3ONE
(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)2(2methylbenzylidene)3oxo23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)2((2METHYLPHENYL)METHYLENE)BENZO(B)FURAN3ONE
CC1=CC=CC=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO
InChI=1SC23H26N2O4c116423517(16)142122(28)186720(27)19(23(18)2921)152510824(91125)121326h27142627H81315H21H3b2114
MFCD06594227
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1ccccc1C)C2=O
ZINC000022939667
ZINC22939667
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