Vitas-M small molecule compound
8-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-(3-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK678113
SMILES Nc1nc(CSc2nc3c(n2Cc2cccc(c2)Cl)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 C22H24ClN9O3S MW 530.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24ClN9O3S/c1-29-17-16(18(33)30(2)22(29)34)32(11-13-4-3-5-14(23)10-13)21(27-17)36-12-15-25-19(24)28-20(26-15)31-6-8-35-9-7-31/h3-5,10H,6-9,11-12H2,1-2H3,(H2,24,25,26,28)InChIKey
NDEWIELILCNDPE-UHFFFAOYSA-NSynonyms
8(((4amino6(morpholin4yl)135triazin2yl)methyl)sulfanyl)7(3chlorobenzyl)13dimethyl37dihydro1Hpurine26dione
8((4AMINO6MORPHOLIN4YL(135TRIAZIN2YL))METHYLTHIO)7((3CHLOROPHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8((4AMINO6MORPHOLIN4YL135TRIAZIN2YL)METHYLSULFANYL)7((3CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC3=NC(=NC(=N3)N)N4CCOCC4)CC5=CC(=CC=C5)Cl
InChI=1SC22H24ClN9O3Sc1291716(18(33)30(2)22(29)34)32(111343514(23)1013)21(2717)3612152519(24)2820(2615)3168359731h3510H691112H212H3(H224252628)
MFCD03036400
ZINC000053253484
ZINC53253484
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