Vitas-M small molecule compound
(2Z)-2-(3,4-dimethoxybenzylidene)-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK854554
SMILES COc1cc(ccc1OC)/C=C/1\Oc2c(C1=O)c(C)cc(c2C[NH+]1CCN(CC1)C)[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 C24H28N2O5 MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N2O5/c1-15-11-18(27)17(14-26-9-7-25(2)8-10-26)24-22(15)23(28)21(31-24)13-16-5-6-19(29-3)20(12-16)30-4/h5-6,11-13,27H,7-10,14H2,1-4H3/b21-13-InChIKey
HQSVJEUDXNOCNK-BKUYFWCQSA-NSynonyms
903860-56-0(2Z)2((34dimethoxyphenyl)methylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(34dimethoxybenzylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
903860560
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC(=C(C=C3)OC)OC)O2)C(NH+)4CCN(CC4)C)(O)
COc1cc(ccc1OC)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCN(CC1)C)(O)
InChI=1SC24H28N2O5c1151118(27)17(14269725(2)81026)2422(15)23(28)21(3124)13165619(293)20(1216)304h56111327H71014H214H3b2113
MFCD08286877
ZINC000020573473
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