Vitas-M small molecule compound

4-(benzyloxy)-3-bromo-5-methoxybenzonitrile

Catalog ID
STK400335
SMILES N#Cc1cc(Br)c(c(c1)OC)OCc1ccccc1

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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 C15H12BrNO2 MW 318.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrNO2/c1-18-14-8-12(9-17)7-13(16)15(14)19-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3
InChIKey
ZFOMEPKTOQTNJO-UHFFFAOYSA-N
Synonyms
52805-35-3
3BROMO5METHOXY4(PHENYLMETHOXY)BENZENECARBONITRILE
3BROMO5METHOXY4PHENYLMETHOXYBENZONITRILE
4(benzyloxy)3bromo5methoxybenzonitrile
4BENZYLOXY3BROMO5METHOXYBENZONITRILE
52805353
COC1=C(C(=CC(=C1)C#N)Br)OCC2=CC=CC=C2
InChI=1SC15H12BrNO2c11814812(917)713(16)15(14)1910115324611h28H10H21H3
MFCD01123032
ZINC000000296148
ZINC00296148
ZINC296148

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Available files

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