Vitas-M small molecule compound

4-cyanophenyl 4-butylbenzoate

Catalog ID
STK071804
SMILES CCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N

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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 C18H17NO2 MW 279.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO2/c1-2-3-4-14-5-9-16(10-6-14)18(20)21-17-11-7-15(13-19)8-12-17/h5-12H,2-4H2,1H3
InChIKey
XQRFASOUJIKXRE-UHFFFAOYSA-N
Synonyms
38690-77-6
(4CYANOPHENYL)4BUTYLBENZOATE
38690776
4(NBUTYL)BENZOICACID4CYANOPHENOLESTER
4BUTYLBENZOICACID(4CYANOPHENYL)ESTER
4BUTYLBENZOICACID4CYANOPHENYL
4BUTYLBENZOICACID4CYANOPHENYLESTER
4CYANOPHENYL4ACUTEPROPYLBENZOATE
4CYANOPHENYL4BUTYLBENZOATE
4CYANOPHENYL4NBUTYLBENZOATE
4NBUTYLBENZOICACID4CYANOPHENYLESTER
BENZOICACID4BUTYL4CYANOPHENYLESTER
CCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C#N
CCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
InChI=1SC18H17NO2c1234145916(10614)18(20)211711715(1319)81217h512H24H21H3
MFCD00001816
PCYANOPHENYLPBUTYLBENZOATE
STK071804
ZINC000002140878
ZINC02140878
ZINC2140878

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Available files

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