4-Bromo-2-chloro-5-(4-methoxy-3,5-dimethylbenzenesulfinyl)-1-(methoxymethyl)-6-(oct-1-yn-1-yl)-1H-pyrrolo[2,3-b]pyridine

SpectraBase Compound ID	CNKs9XjXwWS
InChI	InChI=1S/C26H30BrClN2O3S/c1-6-7-8-9-10-11-12-21-25(34(31)19-13-17(2)24(33-5)18(3)14-19)23(27)20-15-22(28)30(16-32-4)26(20)29-21/h13-15H,6-10,16H2,1-5H3
InChIKey	KTPCCLFOOYOEJV-UHFFFAOYSA-N Google Search
Mol Weight	565.95 g/mol
Molecular Formula	C26H30BrClN2O3S
Exact Mass	564.084905 g/mol

View the Full Spectrum for FREE!

SpectraBase Spectrum ID	Ti7GnQZaaJ
Name	4-Bromo-2-chloro-5-(4-methoxy-3,5-dimethylbenzenesulfinyl)-1-(methoxymethyl)-6-(oct-1-yn-1-yl)-1H-pyrrolo[2,3-b]pyridine
Copyright	Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C26H30BrClN2O3S
InChI	InChI=1S/C26H30BrClN2O3S/c1-6-7-8-9-10-11-12-21-25(34(31)19-13-17(2)24(33-5)18(3)14-19)23(27)20-15-22(28)30(16-32-4)26(20)29-21/h13-15H,6-10,16H2,1-5H3
InChIKey	KTPCCLFOOYOEJV-UHFFFAOYSA-N
Literature Reference DOI	10.1002/anie.201303490
Molecular Weight	565.954 g/mol
SMILES	c1(S(=O)c2cc(c(c(c2)C)OC)C)c(c2cc([n](c2nc1C#CCCCCCC)COC)Cl)Br
SPLASH	splash10-0002-9000310000-029f230cd0b79f9a4e12
Source of Spectrum	ACI-52-SM12-12
Synonyms	4-Bromo-2-chloro-5-((4-methoxy-3,5-dimethylphenyl)sulfinyl)-1-(methoxymethyl)-6-(oct-1-yn-1-yl)-1H-pyrrolo[2,3-b]pyridine
Wiley ID	1781521