Vitas-M small molecule compound
2-({6-[(2-chlorobenzyl)amino]pyrimidin-4-yl}sulfanyl)-N-(2,5-dimethylphenyl)acetamide
Catalog ID
STL079866
SMILES O=C(Nc1cc(C)ccc1C)CSc1ncnc(c1)NCc1ccccc1Cl
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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 C21H21ClN4OS MW 412.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN4OS/c1-14-7-8-15(2)18(9-14)26-20(27)12-28-21-10-19(24-13-25-21)23-11-16-5-3-4-6-17(16)22/h3-10,13H,11-12H2,1-2H3,(H,26,27)(H,23,24,25)InChIKey
AAJPYGIINGFLHN-UHFFFAOYSA-NSynonyms
2((6((2chlorobenzyl)amino)pyrimidin4yl)sulfanyl)N(25dimethylphenyl)acetamide
2(6((2chlorophenyl)methylamino)pyrimidin4yl)sulfanylN(25dimethylphenyl)acetamide
CC1=CC(=C(C=C1)C)NC(=O)CSC2=NC=NC(=C2)NCC3=CC=CC=C3Cl
InChI=1SC21H21ClN4OSc1147815(2)18(914)2620(27)1228211019(24132521)231116534617(16)22h31013H1112H212H3(H2627)(H232425)
MFCD18200640
ZINC000033301454
ZINC33301454
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