Vitas-M small molecule compound
8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-(4-tert-butylbenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK678450
SMILES Nc1nc(CSc2nc3c(n2Cc2ccc(cc2)C(C)(C)C)c(=O)n(c(=O)n3C)C)nc(n1)N1CCCCC1
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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 C27H35N9O2S MW 549.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35N9O2S/c1-27(2,3)18-11-9-17(10-12-18)15-36-20-21(33(4)26(38)34(5)22(20)37)31-25(36)39-16-19-29-23(28)32-24(30-19)35-13-7-6-8-14-35/h9-12H,6-8,13-16H2,1-5H3,(H2,28,29,30,32)InChIKey
AUUDMGKJGXITBW-UHFFFAOYSA-NSynonyms
8(((4amino6(piperidin1yl)135triazin2yl)methyl)sulfanyl)7(4tertbutylbenzyl)13dimethyl37dihydro1Hpurine26dione
8((4AMINO6PIPERIDIN1YL135TRIAZIN2YL)METHYLSULFANYL)7((4TERTBUTYLPHENYL)METHYL)13DIMETHYLPURINE26DIONE
8((4AMINO6PIPERIDYL(135TRIAZIN2YL))METHYLTHIO)7((4(TERTBUTYL)PHENYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CC(C)(C)C1=CC=C(C=C1)CN2C3=C(N=C2SCC4=NC(=NC(=N4)N)N5CCCCC5)N(C(=O)N(C3=O)C)C
InChI=1SC27H35N9O2Sc127(23)1811917(101218)15362021(33(4)26(38)34(5)22(20)37)3125(36)3916192923(28)3224(3019)35137681435h912H681316H215H3(H228293032)
MFCD03034946
ZINC000033354783
ZINC33354783
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