Vitas-M small molecule compound
(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(3,5-dimethylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK621393
SMILES CC1C[NH+](CC(C1)C)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 C25H26ClNO5 MW 455.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26ClNO5/c1-14-5-15(2)10-27(9-14)11-20-21(28)4-3-19-23(29)22(32-25(19)20)8-16-6-18(26)7-17-12-30-13-31-24(16)17/h3-4,6-8,14-15,28H,5,9-13H2,1-2H3/b22-8-InChIKey
ZIQZLVSIQXOILV-UYOCIXKTSA-NSynonyms
929434-18-4(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((35dimethylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
7((35DIMETHYLPIPERIDYL)METHYL)2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
CC1C(NH+)(CC(C1)C)Cc1c((O))ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O
MFCD09793435
ZINC000013654777
ZINC000020648339
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