Vitas-M small molecule compound
(2Z)-2-[4-(methoxycarbonyl)benzylidene]-4-methyl-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855549
SMILES COC(=O)c1ccc(cc1)/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 C24H26N2O5 MW 422.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26N2O5/c1-15-12-19(27)18(14-26-10-8-25(2)9-11-26)23-21(15)22(28)20(31-23)13-16-4-6-17(7-5-16)24(29)30-3/h4-7,12-13,27H,8-11,14H2,1-3H3/b20-13-InChIKey
FERDYFBRKLGVFL-MOSHPQCFSA-NSynonyms
903189-21-9(2Z)2((4methoxycarbonylphenyl)methylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
(2Z)2(4(methoxycarbonyl)benzylidene)4methyl7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
903189219
CC1=CC(=C(C2=C1C(=O)C(=CC3=CC=C(C=C3)C(=O)OC)O2)C(NH+)4CCN(CC4)C)(O)
COC(=O)c1ccc(cc1)C=C1Oc2c(C1=O)c(C)cc(c2C(NH+)1CCN(CC1)C)(O)
InChI=1SC24H26N2O5c1151219(27)18(142610825(2)91126)2321(15)22(28)20(3123)13164617(7516)24(29)303h47121327H81114H213H3b2013
MFCD08290358
ZINC000020589693
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