901783
Methyl 3-(3-(tert-butylthio)-1-(4-chlorobenzyl)-5-(quinolin-2-ylmethoxy)-1H-indol-2-yl)-2,2-dimethylpropanoate
Synonym(s):
Aryl halide chemistry informer library compound X18
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About This Item
Empirical Formula (Hill Notation):
C35H37ClN2O3S
CAS Number:
Molecular Weight:
601.20
UNSPSC Code:
12352101
NACRES:
NA.22
MDL number:
Form:
powder
form
powder
mp
170-172 °C
functional group
chloro, ester, thioether
SMILES string
S(C(C)(C)C)c1c2c([n](c1CC(C)(C)C(=O)OC)Cc5ccc(cc5)Cl)ccc(c2)OCc3nc4c(cc3)cccc4
InChI
1S/C35H37ClN2O3S/c1-34(2,3)42-32-28-19-27(41-22-26-16-13-24-9-7-8-10-29(24)37-26)17-18-30(28)38(21-23-11-14-25(36)15-12-23)31(32)20-35(4,5)33(39)40-6/h7-19H,20-22H2,1-6H3
InChI key
VFRXMMIRFNYCEH-UHFFFAOYSA-N
Application
This product is Informer compound X18 of the Aryl halide chemistry informer library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S.. Inc., Kennilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyse a reaction′s successes and shortcomings among different methods and various research teams. It may also be used to facilitate deeper method development for performance or utility.
Other Notes
Disclaimer
Not fully tested.
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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