Vitas-M small molecule compound

(2E)-3-{2-[(2-chlorobenzyl)oxy]phenyl}-2-cyano-N-(2-phenylethyl)prop-2-enamide

Catalog ID
STK362405
SMILES N#C/C(=C\c1ccccc1OCc1ccccc1Cl)/C(=O)NCCc1ccccc1

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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 C25H21ClN2O2 MW 416.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN2O2/c26-23-12-6-4-11-21(23)18-30-24-13-7-5-10-20(24)16-22(17-27)25(29)28-15-14-19-8-2-1-3-9-19/h1-13,16H,14-15,18H2,(H,28,29)/b22-16+
InChIKey
CBRVPIUSZYGTSL-CJLVFECKSA-N
Synonyms

(2E)3(2((2CHLOROBENZYL)OXY)PHENYL)2CYANON(2PHENYLETHYL)PROP2ENAMIDE
(E)3(2((2chlorophenyl)methoxy)phenyl)2cyanoN(2phenylethyl)prop2enamide
(E)3(2((2CHLOROPHENYL)METHOXY)PHENYL)2CYANONPHENETHYLPROP2ENAMIDE
C1=CC=C(C=C1)CCNC(=O)C(=CC2=CC=CC=C2OCC3=CC=CC=C3Cl)C#N
InChI=1SC25H21ClN2O2c262312641121(23)18302413751020(24)1622(1727)25(29)281514198213919h11316H141518H2(H2829)b2216+
MFCD07090284
N#CC(=Cc1ccccc1OCc1ccccc1Cl)C(=O)NCCc1ccccc1
ZINC000023382625
ZINC23382625

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Available files

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