Vitas-M small molecule compound
(2E)-2-[(1-methyl-1H-indol-3-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK628900
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C/c1cn(c3c1cccc3)C)/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 C24H25N3O3 MW 403.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25N3O3/c1-25-9-11-27(12-10-25)15-19-21(28)8-7-18-23(29)22(30-24(18)19)13-16-14-26(2)20-6-4-3-5-17(16)20/h3-8,13-14,28H,9-12,15H2,1-2H3/b22-13+InChIKey
LYUCJLQDQUXVMJ-LPYMAVHISA-NSynonyms
929398-16-3(2E)2((1methyl1Hindol3yl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
(2E)2((1methylindol3yl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo1benzofuran6olate
929398163
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cn(c3c1cccc3)C)C2=O
CN1CC(NH+)(CC1)CC2=C(C=CC3=C2OC(=CC4=CN(C5=CC=CC=C54)C)C3=O)(O)
InChI=1SC24H25N3O3c12591127(121025)151921(28)871823(29)22(3024(18)19)13161426(2)20643517(16)20h38131428H91215H212H3b2213+
MFCD09792071
ZINC000020646557
ZINC20646557
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