Vitas-M small molecule compound
(2Z)-7-[(4-ethylpiperazin-1-ium-1-yl)methyl]-4-methyl-3-oxo-2-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK853529
SMILES CCN1CC[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 C26H32N2O6 MW 468.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O6/c1-6-27-7-9-28(10-8-27)15-18-19(29)11-16(2)23-24(30)20(34-25(18)23)12-17-13-21(31-3)26(33-5)22(14-17)32-4/h11-14,29H,6-10,15H2,1-5H3/b20-12-InChIKey
PLWHCUXRALEPFK-NDENLUEZSA-NSynonyms
903854-72-8(2Z)7((4ethylpiperazin1ium1yl)methyl)4methyl3oxo2((345trimethoxyphenyl)methylidene)1benzofuran6olate
(2Z)7((4ethylpiperazin1ium1yl)methyl)4methyl3oxo2(345trimethoxybenzylidene)23dihydro1benzofuran6olate
903854728
CCN1CC(NH+)(CC1)Cc1c((O))cc(c2c1OC(=Cc1cc(OC)c(c(c1)OC)OC)C2=O)C
CCN1CC(NH+)(CC1)CC2=C(C=C(C3=C2OC(=CC4=CC(=C(C(=C4)OC)OC)OC)C3=O)C)(O)
InChI=1SC26H32N2O6c16277928(10827)151819(29)1116(2)2324(30)20(3425(18)23)12171321(313)26(335)22(1417)324h111429H61015H215H3b2012
MFCD08286596
ZINC000020573435
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