Vitas-M small molecule compound
8-[(4-benzyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK677053
SMILES Cn1c(Sc2nncn2Cc2ccccc2)nc2c1c(=O)n(c(=O)n2C)C
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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 C17H17N7O2S MW 383.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H17N7O2S/c1-21-12-13(22(2)17(26)23(3)14(12)25)19-15(21)27-16-20-18-10-24(16)9-11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3InChIKey
PWXYPRMRXNDBMC-UHFFFAOYSA-NSynonyms
137TRIMETHYL8(4BENZYL(124TRIAZOL3YLTHIO))137TRIHYDROPURINE26DIONE
8((4BENZYL124TRIAZOL3YL)SULFANYL)137TRIMETHYLPURINE26DIONE
8((4benzyl4H124triazol3yl)sulfanyl)137trimethyl37dihydro1Hpurine26dione
CN1C2=C(N=C1SC3=NN=CN3CC4=CC=CC=C4)N(C(=O)N(C2=O)C)C
InChI=1SC17H17N7O2Sc1211213(22(2)17(26)23(3)14(12)25)1915(21)271620181024(16)9117546811h4810H9H213H3
MFCD02648487
ZINC000001026981
ZINC01026981
ZINC1026981
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