Vitas-M small molecule compound

4-cyanobenzyl 4-methylbenzoate

Catalog ID
STL417423
SMILES N#Cc1ccc(cc1)COC(=O)c1ccc(cc1)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 C16H13NO2 MW 251.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13NO2/c1-12-2-8-15(9-3-12)16(18)19-11-14-6-4-13(10-17)5-7-14/h2-9H,11H2,1H3
InChIKey
XMUBNHLDWOXVFC-UHFFFAOYSA-N
Synonyms

(4CYANOPHENYL)METHYL4METHYLBENZOATE
4cyanobenzyl4methylbenzoate
CC1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)C#N
InChI=1SC16H13NO2c1122815(9312)16(18)1911146413(1017)5714h29H11H21H3
MFCD04342389
ZINC000003388263
ZINC03388263
ZINC3388263

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Available files

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