Vitas-M small molecule compound

4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-ethoxy-6-iodophenyl benzoate

Catalog ID
STK958830
SMILES CCOc1cc(cc(c1OC(=O)c1ccccc1)I)/C=C/1\C(=O)c2c(C1=O)cccc2

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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 C25H17IO5 MW 524.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17IO5/c1-2-30-21-14-15(12-19-22(27)17-10-6-7-11-18(17)23(19)28)13-20(26)24(21)31-25(29)16-8-4-3-5-9-16/h3-14H,2H2,1H3
InChIKey
CYGRSBOCOGNFPB-UHFFFAOYSA-N
Synonyms
445285-62-1
(4((13DIOXOINDEN2YLIDENE)METHYL)2ETHOXY6IODOPHENYL)BENZOATE
4((13dioxo13dihydro2Hinden2ylidene)methyl)2ethoxy6iodophenylbenzoate
445285621
CCOC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)I)OC(=O)C4=CC=CC=C4
CCOc1cc(cc(c1OC(=O)c1ccccc1)I)C=C1C(=O)c2c(C1=O)cccc2
InChI=1SC25H17IO5c1230211415(121922(27)1710671118(17)23(19)28)1320(26)24(21)3125(29)168435916h314H2H21H3
MFCD02371726
ZINC000002752663
ZINC02752663
ZINC2752663

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Available files

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