Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK607789
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])cc(c2c1O/C(=C\c1cc(OC)c(c(c1)OC)OC)/C2=O)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 C26H32N2O7 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O7/c1-16-11-19(30)18(15-28-7-5-27(6-8-28)9-10-29)25-23(16)24(31)20(35-25)12-17-13-21(32-2)26(34-4)22(14-17)33-3/h11-14,29-30H,5-10,15H2,1-4H3/b20-12-InChIKey
CKILOHRSJBFIEZ-NDENLUEZSA-NSynonyms
903185-93-3(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)4methyl3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
6HYDROXY7((4(2HYDROXYETHYL)1PIPERAZINYL)METHYL)4METHYL2(345TRIMETHOXYBENZYLIDENE)1BENZOFURAN3(2H)ONE
6HYDROXY7((4(2HYDROXYETHYL)PIPERAZINYL)METHYL)4METHYL2((345TRIMETHOXYPHENYL)METHYLENE)BENZO(B)FURAN3ONE
MFCD08289948
OCCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc(OC)c(c(c1)OC)OC)C2=O)C
ZINC000020589380
ZINC20589380
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