Vitas-M small molecule compound
3-(4-methoxybenzyl)-2-{[3-(trifluoromethyl)benzyl]sulfanyl}thieno[3,2-d]pyrimidin-4(3H)-one
Catalog ID
STL166936
SMILES COc1ccc(cc1)Cn1c(SCc2cccc(c2)C(F)(F)F)nc2c(c1=O)scc2
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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 C22H17F3N2O2S2 MW 462.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N2O2S2/c1-29-17-7-5-14(6-8-17)12-27-20(28)19-18(9-10-30-19)26-21(27)31-13-15-3-2-4-16(11-15)22(23,24)25/h2-11H,12-13H2,1H3InChIKey
FKOJATYLQCSALN-UHFFFAOYSA-NSynonyms
3((4methoxyphenyl)methyl)2((3(trifluoromethyl)phenyl)methylsulfanyl)thieno(32d)pyrimidin4one
3(4methoxybenzyl)2((3(trifluoromethyl)benzyl)sulfanyl)thieno(32d)pyrimidin4(3H)one
COC1=CC=C(C=C1)CN2C(=O)C3=C(C=CS3)N=C2SCC4=CC(=CC=C4)C(F)(F)F
InChI=1SC22H17F3N2O2S2c129177514(6817)122720(28)1918(9103019)2621(27)31131532416(1115)22(2324)25h211H1213H21H3
MFCD20749233
ZINC000071768754
ZINC71768754
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