Vitas-M small molecule compound
2-methoxyethyl 2-(benzylsulfanyl)-5-methyl-7-(thiophen-2-yl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Catalog ID
STK217671
SMILES COCCOC(=O)C1=C(C)Nc2n(C1c1cccs1)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 C21H22N4O3S2 MW 442.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S2/c1-14-17(19(26)28-11-10-27-2)18(16-9-6-12-29-16)25-20(22-14)23-21(24-25)30-13-15-7-4-3-5-8-15/h3-9,12,18H,10-11,13H2,1-2H3,(H,22,23,24)InChIKey
HPJIGYLAYFTMLK-UHFFFAOYSA-NSynonyms
2methoxyethyl2(benzylsulfanyl)5methyl7(thiophen2yl)47dihydro(124)triazolo(15a)pyrimidine6carboxylate
2METHOXYETHYL2BENZYLSULFANYL5METHYL7THIOPHEN2YL17DIHYDRO(124)TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
2METHOXYETHYL5METHYL2(PHENYLMETHYLTHIO)7(2THIENYL)478TRIHYDRO124TRIAZOLO(15A)PYRIMIDINE6CARBOXYLATE
CC1=C(C(N2C(=N1)N=C(N2)SCC3=CC=CC=C3)C4=CC=CS4)C(=O)OCCOC
InChI=1SC21H22N4O3S2c11417(19(26)281110272)18(1696122916)2520(2214)2321(2425)3013157435815h391218H101113H212H3(H222324)
MFCD06609229
ZINC000006237892
ZINC000006461709
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