Vitas-M small molecule compound
8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK778562
SMILES Nc1nc(CSc2nc3c(n2Cc2cccc(c2)C(F)(F)F)c(=O)n(c(=O)n3C)C)nc(n1)N(C)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 C21H22F3N9O2S MW 521.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22F3N9O2S/c1-30(2)18-27-13(26-17(25)29-18)10-36-19-28-15-14(16(34)32(4)20(35)31(15)3)33(19)9-11-6-5-7-12(8-11)21(22,23)24/h5-8H,9-10H2,1-4H3,(H2,25,26,27,29)InChIKey
KMKCADSNXHQOCN-UHFFFAOYSA-NSynonyms
8(((4amino6(dimethylamino)135triazin2yl)methyl)sulfanyl)13dimethyl7(3(trifluoromethyl)benzyl)37dihydro1Hpurine26dione
8((4AMINO6(DIMETHYLAMINO)135TRIAZIN2YL)METHYLSULFANYL)13DIMETHYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N(C)C)N)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC21H22F3N9O2Sc130(2)182713(2617(25)2918)103619281514(16(34)32(4)20(35)31(15)3)33(19)91165712(811)21(2223)24h58H910H214H3(H225262729)
MFCD05856810
ZINC000012427899
ZINC12427899
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