Vitas-M small molecule compound
(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(3-methylpiperidinium-1-yl)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK625255
SMILES CC1CCC[NH+](C1)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 C24H24ClNO5 MW 441.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClNO5/c1-14-3-2-6-26(10-14)11-19-20(27)5-4-18-22(28)21(31-24(18)19)9-15-7-17(25)8-16-12-29-13-30-23(15)16/h4-5,7-9,14,27H,2-3,6,10-13H2,1H3/b21-9-InChIKey
CQEZUTLYWOFDHN-NKVSQWTQSA-NSynonyms
929398-06-1(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((3methylpiperidinium1yl)methyl)3oxo23dihydro1benzofuran6olate
2((6CHLORO(2H4HBENZO(E)13DIOXIN8YL))METHYLENE)6HYDROXY7((3METHYLPIPERIDYL)METHYL)BENZO(B)FURAN3ONE
CC1CCC(NH+)(C1)Cc1c((O))ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O
MFCD09792608
ZINC000020650324
ZINC000020650327
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