Vitas-M small molecule compound
ethyl 2-(benzylsulfanyl)-5-methyl-7-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK217672
SMILES CCOC(=O)C1=C(C)Nc2n(C1c1ccccc1)nc(n2)SCc1ccccc1
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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-3-28-20(27)18-15(2)23-21-24-22(29-14-16-10-6-4-7-11-16)25-26(21)19(18)17-12-8-5-9-13-17/h4-13,19H,3,14H2,1-2H3,(H,23,24,25)InChIKey
YQROVJOHCIFACD-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=CC=C3)SCC4=CC=CC=C4)C
ethyl2(benzylsulfanyl)5methyl7phenyl47dihydro(124)triazolo(15a)pyrimidine6carboxylate
ETHYL2BENZYLSULFANYL5METHYL7PHENYL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
ETHYL5METHYL7PHENYL2(PHENYLMETHYLTHIO)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
InChI=1SC22H22N4O2Sc132820(27)1815(2)23212422(291416106471116)2526(21)19(18)17128591317h41319H314H212H3(H232425)
MFCD06613655
ZINC000004814201
ZINC000004814202
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