Vitas-M small molecule compound
(2Z)-7-{[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl}-3-oxo-2-(2,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK596409
SMILES OCCN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(OC)c(cc1OC)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 C25H30N2O7 MW 470.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O7/c1-31-20-14-22(33-3)21(32-2)12-16(20)13-23-24(30)17-4-5-19(29)18(25(17)34-23)15-27-8-6-26(7-9-27)10-11-28/h4-5,12-14,28-29H,6-11,15H2,1-3H3/b23-13-InChIKey
BFUGOXWPPVJJDV-QRVIBDJDSA-NSynonyms
899384-75-9(2Z)7((4(2hydroxyethyl)piperazin1ium1yl)methyl)3oxo2(245trimethoxybenzylidene)23dihydro1benzofuran6olate
COC1=CC(=C(C=C1C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCN(CC4)CCO)OC)OC
InChI=1SC25H30N2O7c131201422(333)21(322)1216(20)132324(30)174519(29)18(25(17)3423)15278626(7927)101128h4512142829H61115H213H3b2313
MFCD06605824
OCCN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(OC)c(cc1OC)OC)C2=O
ZINC000020519507
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