Vitas-M small molecule compound
8-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-(2-fluorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK777198
SMILES Nc1nc(CSc2nc3c(n2Cc2ccccc2F)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 C20H22FN9O2S MW 471.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22FN9O2S/c1-27(2)18-24-13(23-17(22)26-18)10-33-19-25-15-14(16(31)29(4)20(32)28(15)3)30(19)9-11-7-5-6-8-12(11)21/h5-8H,9-10H2,1-4H3,(H2,22,23,24,26)InChIKey
MWHHTFVGQMSCKQ-UHFFFAOYSA-NSynonyms
8(((4amino6(dimethylamino)135triazin2yl)methyl)sulfanyl)7(2fluorobenzyl)13dimethyl37dihydro1Hpurine26dione
8(((4AMINO6(DIMETHYLAMINO)135TRIAZIN2YL)METHYL)THIO)7(2FLUOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((4AMINO6(DIMETHYLAMINO)135TRIAZIN2YL)METHYLSULFANYL)7((2FLUOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N(C)C)N)CC4=CC=CC=C4F
InChI=1SC20H22FN9O2Sc127(2)182413(2317(22)2618)103319251514(16(31)29(4)20(32)28(15)3)30(19)911756812(11)21h58H910H214H3(H222232426)
MFCD05260141
ZINC000012427901
ZINC12427901
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