Vitas-M small molecule compound
2-{[1,3-dimethyl-2,6-dioxo-7-(propan-2-yl)-2,3,6,7-tetrahydro-1H-purin-8-yl]sulfanyl}-N-[4-(trifluoromethoxy)phenyl]acetamide
Catalog ID
STK765486
SMILES O=C(Nc1ccc(cc1)OC(F)(F)F)CSc1nc2c(n1C(C)C)c(=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 C19H20F3N5O4S MW 471.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20F3N5O4S/c1-10(2)27-14-15(25(3)18(30)26(4)16(14)29)24-17(27)32-9-13(28)23-11-5-7-12(8-6-11)31-19(20,21)22/h5-8,10H,9H2,1-4H3,(H,23,28)InChIKey
WBFMIKKTUKSGAT-UHFFFAOYSA-NSynonyms
2((13dimethyl26dioxo7(propan2yl)2367tetrahydro1Hpurin8yl)sulfanyl)N(4(trifluoromethoxy)phenyl)acetamide
2(13DIMETHYL26DIOXO7PROPAN2YLPURIN8YL)SULFANYLN(4(TRIFLUOROMETHOXY)PHENYL)ACETAMIDE
CC(C)N1C2=C(N=C1SCC(=O)NC3=CC=C(C=C3)OC(F)(F)F)N(C(=O)N(C2=O)C)C
InChI=1SC19H20F3N5O4Sc110(2)271415(25(3)18(30)26(4)16(14)29)2417(27)32913(28)23115712(8611)3119(2021)22h5810H9H214H3(H2328)
MFCD03035632
ZINC000001068180
ZINC01068180
ZINC1068180
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