Vitas-M small molecule compound

2-bromo-4-cyano-6-methoxyphenyl benzoate

Catalog ID
STK348835
SMILES N#Cc1cc(Br)c(c(c1)OC)OC(=O)c1ccccc1

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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 C15H10BrNO3 MW 332.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H10BrNO3/c1-19-13-8-10(9-17)7-12(16)14(13)20-15(18)11-5-3-2-4-6-11/h2-8H,1H3
InChIKey
HVBUPASLLLEHCX-UHFFFAOYSA-N
Synonyms
700858-32-8
(2BROMO4CYANO6METHOXYPHENYL)BENZOATE
2bromo4cyano6methoxyphenylbenzoate
700858328
COC1=C(C(=CC(=C1)C#N)Br)OC(=O)C2=CC=CC=C2
InChI=1SC15H10BrNO3c11913810(917)712(16)14(13)2015(18)115324611h28H1H3
MFCD02256537
ZINC000000619479
ZINC00619479
ZINC619479

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Available files

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