Vitas-M small molecule compound
methyl 4-[({(2E)-2-[(1-ethyl-1H-indol-3-yl)methylidene]-7-methyl-3-oxo-2,3-dihydro-1-benzofuran-6-yl}oxy)methyl]benzoate
Catalog ID
STK628774
SMILES COC(=O)c1ccc(cc1)COc1ccc2c(c1C)O/C(=C/c1cn(c3c1cccc3)CC)/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 C29H25NO5 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO5/c1-4-30-16-21(22-7-5-6-8-24(22)30)15-26-27(31)23-13-14-25(18(2)28(23)35-26)34-17-19-9-11-20(12-10-19)29(32)33-3/h5-16H,4,17H2,1-3H3/b26-15+InChIKey
JOBCAJKCNVJEHO-CVKSISIWSA-NSynonyms
929489-86-1(E)methyl4(((2((1ethyl1Hindol3yl)methylene)7methyl3oxo23dihydrobenzofuran6yl)oxy)methyl)benzoate
929489861
CCN1C=C(C2=CC=CC=C21)C=C3C(=O)C4=C(O3)C(=C(C=C4)OCC5=CC=C(C=C5)C(=O)OC)C
COC(=O)c1ccc(cc1)COc1ccc2c(c1C)OC(=Cc1cn(c3c1cccc3)CC)C2=O
InChI=1SC29H25NO5c14301621(22756824(22)30)152627(31)23131425(18(2)28(23)3526)34171991120(121019)29(32)333h516H417H213H3b2615+
methyl4((((2E)2((1ethyl1Hindol3yl)methylidene)7methyl3oxo23dihydro1benzofuran6yl)oxy)methyl)benzoate
methyl4(((2E)2((1ethylindol3yl)methylidene)7methyl3oxo1benzofuran6yl)oxymethyl)benzoate
MFCD09788694
ZINC000008993071
ZINC08993071
ZINC8993071
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