Vitas-M small molecule compound
(2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-7-[(dimethylammonio)methyl]-3-oxo-2,3-dihydro-1-benzofuran-6-olate
Catalog ID
STK855129
SMILES C[NH+](Cc1c([O-])ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O)C
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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 C20H18ClNO5 MW 387.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClNO5/c1-22(2)8-15-16(23)4-3-14-18(24)17(27-20(14)15)7-11-5-13(21)6-12-9-25-10-26-19(11)12/h3-7,23H,8-10H2,1-2H3/b17-7-InChIKey
OUWKHKZIVSJMMU-IDUWFGFVSA-NSynonyms
903862-47-5(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((dimethylammonio)methyl)3oxo23dihydro1benzofuran6olate
(2Z)2((6chloro4H13benzodioxin8yl)methylidene)7((dimethylazaniumyl)methyl)3oxo1benzofuran6olate
(2Z)2((6CHLORO4H13BENZODIOXIN8YL)METHYLIDENE)7(DIMETHYLAMINOMETHYL)6HYDROXY1BENZOFURAN3ONE
7((DIMETHYLAMINO)METHYL)2((6CHLORO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)6HYDROXYBENZO(B)FURAN3ONE
903862475
C(NH+)(C)CC1=C(C=CC2=C1OC(=CC3=CC(=CC4=C3OCOC4)Cl)C2=O)(O)
C(NH+)(Cc1c((O))ccc2c1OC(=Cc1cc(Cl)cc3c1OCOC3)C2=O)C
InChI=1SC20H18ClNO5c122(2)81516(23)431418(24)17(2720(14)15)711513(21)612925102619(11)12h3723H810H212H3b177
MFCD08290402
ZINC000020589730
ZINC20589730
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