Vitas-M small molecule compound

4-bromo-2-[(E)-2-(8-methoxyquinolin-2-yl)ethenyl]phenyl acetate

Catalog ID
STK980307
SMILES COc1cccc2c1nc(/C=C/c1cc(Br)ccc1OC(=O)C)cc2

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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 C20H16BrNO3 MW 398.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrNO3/c1-13(23)25-18-11-8-16(21)12-15(18)7-10-17-9-6-14-4-3-5-19(24-2)20(14)22-17/h3-12H,1-2H3/b10-7+
InChIKey
BQSHMPZBHOZWED-JXMROGBWSA-N
Synonyms

(4BROMO2((E)2(8METHOXYQUINOLIN2YL)ETHENYL)PHENYL)ACETATE
4bromo2((E)2(8methoxyquinolin2yl)ethenyl)phenylacetate
CC(=O)OC1=C(C=C(C=C1)Br)C=CC2=NC3=C(C=CC=C3OC)C=C2
COc1cccc2c1nc(C=Cc1cc(Br)ccc1OC(=O)C)cc2
InChI=1SC20H16BrNO3c113(23)251811816(21)1215(18)71017961443519(242)20(14)2217h312H12H3b107+
MFCD04216092
ZINC000004998340
ZINC04998340
ZINC4998340

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Available files

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