Vitas-M small molecule compound

(2E)-6-[(2,6-dichlorobenzyl)oxy]-2-[(1-methyl-1H-indol-3-yl)methylidene]-1-benzofuran-3(2H)-one

Catalog ID
STK653854
SMILES O=C1/C(=C\c2cn(c3c2cccc3)C)/Oc2c1ccc(c2)OCc1c(Cl)cccc1Cl

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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 C25H17Cl2NO3 MW 450.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17Cl2NO3/c1-28-13-15(17-5-2-3-8-22(17)28)11-24-25(29)18-10-9-16(12-23(18)31-24)30-14-19-20(26)6-4-7-21(19)27/h2-13H,14H2,1H3/b24-11+
InChIKey
MFHOZUXDCDBSSY-BHGWPJFGSA-N
Synonyms
929434-46-8
(2E)6((26dichlorobenzyl)oxy)2((1methyl1Hindol3yl)methylidene)1benzofuran3(2H)one
(2E)6((26dichlorophenyl)methoxy)2((1methylindol3yl)methylidene)1benzofuran3one
(E)6((26dichlorobenzyl)oxy)2((1methyl1Hindol3yl)methylene)benzofuran3(2H)one
929434468
CN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C=C(C=C4)OCC5=C(C=CC=C5Cl)Cl
InChI=1SC25H17Cl2NO3c1281315(17523822(17)28)112425(29)1810916(1223(18)3124)30141920(26)64721(19)27h213H14H21H3b2411+
MFCD09849582
O=C1C(=Cc2cn(c3c2cccc3)C)Oc2c1ccc(c2)OCc1c(Cl)cccc1Cl
ZINC000008993649
ZINC08993649
ZINC8993649

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.