Vitas-M small molecule compound

{4-[(1,3-dioxo-1,3-dihydro-2H-inden-2-ylidene)methyl]-2-iodo-6-methoxyphenoxy}acetonitrile

Catalog ID
STL172452
SMILES N#CCOc1c(I)cc(cc1OC)/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 C19H12INO4 MW 445.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12INO4/c1-24-16-10-11(9-15(20)19(16)25-7-6-21)8-14-17(22)12-4-2-3-5-13(12)18(14)23/h2-5,8-10H,7H2,1H3
InChIKey
LYVVRYUNHKIXBN-UHFFFAOYSA-N
Synonyms

(4((13dioxo13dihydro2Hinden2ylidene)methyl)2iodo6methoxyphenoxy)acetonitrile
2(4((13dioxoinden2ylidene)methyl)2iodo6methoxyphenoxy)acetonitrile
COC1=C(C(=CC(=C1)C=C2C(=O)C3=CC=CC=C3C2=O)I)OCC#N
InChI=1SC19H12INO4c124161011(915(20)19(16)257621)81417(22)12423513(12)18(14)23h25810H7H21H3
MFCD04047570
N#CCOc1c(I)cc(cc1OC)C=C1C(=O)c2c(C1=O)cccc2
ZINC000002772276
ZINC02772276
ZINC2772276

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Available files

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