Vitas-M small molecule compound
8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK766549
SMILES Nc1nc(CSc2nc3c(n2Cc2ccccc2F)c(=O)n(c(=O)n3C)C)nc(n1)N1CCOCC1
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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 C22H24FN9O3S MW 513.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24FN9O3S/c1-29-17-16(18(33)30(2)22(29)34)32(11-13-5-3-4-6-14(13)23)21(27-17)36-12-15-25-19(24)28-20(26-15)31-7-9-35-10-8-31/h3-6H,7-12H2,1-2H3,(H2,24,25,26,28)InChIKey
MFGHCCGNHFAKHI-UHFFFAOYSA-NSynonyms
8(((4amino6(morpholin4yl)135triazin2yl)methyl)sulfanyl)7(2fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
8(((4AMINO6MORPHOLIN4YL135TRIAZIN2YL)METHYL)SULFANYL)7(2FLUOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((4AMINO6MORPHOLIN4YL(135TRIAZIN2YL))METHYLTHIO)7((2FLUOROPHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8((4AMINO6MORPHOLIN4YL135TRIAZIN2YL)METHYLSULFANYL)7((2FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N)N4CCOCC4)CC5=CC=CC=C5F
InChI=1SC22H24FN9O3Sc1291716(18(33)30(2)22(29)34)32(1113534614(13)23)21(2717)3612152519(24)2820(2615)31793510831h36H712H212H3(H224252628)
MFCD03036153
ZINC000008925938
ZINC08925938
ZINC8925938
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.