Vitas-M small molecule compound
N-(4-fluorophenyl)-2-{5-[(1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)sulfanyl]-1H-1,2,4-triazol-1-yl}acetamide
Catalog ID
STK770879
SMILES O=C(Cn1ncnc1Sc1nc2c(n1C)c(=O)n(c(=O)n2C)C)Nc1ccc(cc1)F
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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 C18H17FN8O3S MW 444.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17FN8O3S/c1-24-13-14(25(2)18(30)26(3)15(13)29)23-17(24)31-16-20-9-21-27(16)8-12(28)22-11-6-4-10(19)5-7-11/h4-7,9H,8H2,1-3H3,(H,22,28)InChIKey
PSOGKWKSFSBXEW-UHFFFAOYSA-NSynonyms
672901-79-0672901790
CN1C2=C(N=C1SC3=NC=NN3CC(=O)NC4=CC=C(C=C4)F)N(C(=O)N(C2=O)C)C
InChI=1SC18H17FN8O3Sc1241314(25(2)18(30)26(3)15(13)29)2317(24)31162092127(16)812(28)22116410(19)5711h479H8H213H3(H2228)
MFCD03665507
N(4fluorophenyl)2(5((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)sulfanyl)1H124triazol1yl)acetamide
N(4fluorophenyl)2(5((137trimethyl26dioxo2367tetrahydro1Hpurin8yl)thio)1H124triazol1yl)acetamide
N(4FLUOROPHENYL)2(5(137TRIMETHYL26DIOXOPURIN8YL)SULFANYL124TRIAZOL1YL)ACETAMIDE
ZINC000001073542
ZINC01073542
ZINC1073542
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