Vitas-M small molecule compound
(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(4-methylpiperazin-1-ium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK856305
SMILES CN1CC[NH+](CC1)Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/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 C23H23ClN2O5 MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN2O5/c1-25-4-6-26(7-5-25)11-18-19(27)3-2-17-21(28)20(31-23(17)18)10-14-8-16(24)9-15-12-29-13-30-22(14)15/h2-3,8-10,27H,4-7,11-13H2,1H3/b20-10-InChIKey
ICJCYMABEODEGR-JMIUGGIZSA-NSynonyms
929434-06-0(2Z)2((6chloro4H13benzodioxin8yl)methylidene)6hydroxy7((4methylpiperazin1yl)methyl)1benzofuran3one
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((4methylpiperazin1ium1yl)methyl)3oxo23dihydro1benzofuran6olate
929434060
CN1CC(NH+)(CC1)Cc1c((O))ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O
CN1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC(=CC5=C4OCOC5)Cl)C3=O)O
InChI=1SC23H23ClN2O5c1254626(7525)111819(27)321721(28)20(3123(17)18)1014816(24)9151229133022(14)15h2381027H471113H21H3b2010
MFCD09792272
ZINC000020649314
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