Vitas-M small molecule compound

4-acetylphenyl 3-iodo-4-methylbenzoate

Catalog ID
STK122577
SMILES O=C(c1ccc(c(c1)I)C)Oc1ccc(cc1)C(=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 C16H13IO3 MW 380.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13IO3/c1-10-3-4-13(9-15(10)17)16(19)20-14-7-5-12(6-8-14)11(2)18/h3-9H,1-2H3
InChIKey
YAPCFPGCKROFQU-UHFFFAOYSA-N
Synonyms

(4ACETYLPHENYL)3IODO4METHYLBENZOATE
4ACETYLPHENYL3IODO4METHYLBENZOATE
CC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C)I
InChI=1SC16H13IO3c1103413(915(10)17)16(19)20147512(6814)11(2)18h39H12H3
MFCD03773066
ZINC000000676635
ZINC00676635
ZINC676635

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Available files

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