Vitas-M small molecule compound
({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetonitrile
Catalog ID
STK744205
SMILES N#CCSc1nc2c(n1Cc1cccc(c1)C(F)(F)F)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 C17H14F3N5O2S MW 409.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14F3N5O2S/c1-23-13-12(14(26)24(2)16(23)27)25(15(22-13)28-7-6-21)9-10-4-3-5-11(8-10)17(18,19)20/h3-5,8H,7,9H2,1-2H3InChIKey
UIKFXKHJNBRAND-UHFFFAOYSA-NSynonyms
((13dimethyl26dioxo7(3(trifluoromethyl)benzyl)2367tetrahydro1Hpurin8yl)sulfanyl)acetonitrile
2(13dimethyl26dioxo7((3(trifluoromethyl)phenyl)methyl)purin8yl)sulfanylacetonitrile
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC#N)CC3=CC(=CC=C3)C(F)(F)F
InChI=1SC17H14F3N5O2Sc1231312(14(26)24(2)16(23)27)25(15(2213)287621)91043511(810)17(1819)20h358H79H212H3
MFCD09063238
ZINC000010337349
ZINC10337349
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