Vitas-M small molecule compound
8-({[4-amino-6-(piperidin-1-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-7-butyl-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK766620
SMILES CCCCn1c(SCc2nc(N)nc(n2)N2CCCCC2)nc2c1c(=O)n(c(=O)n2C)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 C20H29N9O2S MW 459.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H29N9O2S/c1-4-5-11-29-14-15(26(2)20(31)27(3)16(14)30)24-19(29)32-12-13-22-17(21)25-18(23-13)28-9-7-6-8-10-28/h4-12H2,1-3H3,(H2,21,22,23,25)InChIKey
PGHMRKXLOJJJQN-UHFFFAOYSA-NSynonyms
8(((4amino6(piperidin1yl)135triazin2yl)methyl)sulfanyl)7butyl13dimethyl37dihydro1Hpurine26dione
8(((4AMINO6PIPERIDIN1YL135TRIAZIN2YL)METHYL)THIO)7BUTYL13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((4AMINO6PIPERIDIN1YL135TRIAZIN2YL)METHYLSULFANYL)7BUTYL13DIMETHYLPURINE26DIONE
CCCCN1C2=C(N=C1SCC3=NC(=NC(=N3)N)N4CCCCC4)N(C(=O)N(C2=O)C)C
InChI=1SC20H29N9O2Sc14511291415(26(2)20(31)27(3)16(14)30)2419(29)3212132217(21)2518(2313)2897681028h412H213H3(H221222325)
MFCD03036174
ZINC000008683329
ZINC08683329
ZINC8683329
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