Vitas-M small molecule compound
methyl 2-({(2Z)-2-[(6-bromo-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)propanoate
Catalog ID
STL034954
SMILES COC(=O)C(Oc1ccc2c(c1)O/C(=C\c1cc(Br)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 C21H17BrO7 MW 461.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrO7/c1-11(21(24)25-2)28-15-3-4-16-17(8-15)29-18(19(16)23)7-12-5-14(22)6-13-9-26-10-27-20(12)13/h3-8,11H,9-10H2,1-2H3/b18-7-InChIKey
YVUWPMHJCOWDIM-WSVATBPTSA-NSynonyms
929379-85-1(Z)methyl2((2((6bromo4Hbenzo(d)(13)dioxin8yl)methylene)3oxo23dihydrobenzofuran6yl)oxy)propanoate
929379851
CC(C(=O)OC)OC1=CC2=C(C=C1)C(=O)C(=CC3=CC(=CC4=C3OCOC4)Br)O2
COC(=O)C(Oc1ccc2c(c1)OC(=Cc1cc(Br)cc3c1OCOC3)C2=O)C
InChI=1SC21H17BrO7c111(21(24)252)2815341617(815)2918(19(16)23)712514(22)613926102720(12)13h3811H910H212H3b187
methyl2(((2Z)2((6bromo4H13benzodioxin8yl)methylidene)3oxo1benzofuran6yl)oxy)propanoate
methyl2(((2Z)2((6bromo4H13benzodioxin8yl)methylidene)3oxo23dihydro1benzofuran6yl)oxy)propanoate
METHYL2(2((6BROMO(2H4HBENZO(E)13DIOXAN8YL))METHYLENE)3OXOBENZO(34B)FURAN6YLOXY)PROPANOATE
MFCD09844330
ZINC000009476636
ZINC000009476637
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