Vitas-M small molecule compound
1,3-dimethyl-7-{2-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]ethyl}-8-(piperidin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL005452
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nnnn1c1ccccc1)c(n2)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 C21H25N9O2S MW 467.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N9O2S/c1-26-17-16(18(31)27(2)21(26)32)29(19(22-17)28-11-7-4-8-12-28)13-14-33-20-23-24-25-30(20)15-9-5-3-6-10-15/h3,5-6,9-10H,4,7-8,11-14H2,1-2H3InChIKey
NILSXGXSQPWMHQ-UHFFFAOYSA-NSynonyms
685860-65-513dimethyl7(2((1phenyl1Htetrazol5yl)sulfanyl)ethyl)8(piperidin1yl)37dihydro1Hpurine26dione
13DIMETHYL7(2((1PHENYL1HTETRAZOL5YL)SULFANYL)ETHYL)8PIPERIDIN1YL37DIHYDRO1HPURINE26DIONE
13DIMETHYL7(2((1PHENYL1HTETRAZOL5YL)THIO)ETHYL)8(PIPERIDIN1YL)1HPURINE26(3H7H)DIONE
13DIMETHYL7(2(1PHENYLTETRAZOL5YL)SULFANYLETHYL)8PIPERIDIN1YLPURINE26DIONE
685860655
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCC3)CCSC4=NN=NN4C5=CC=CC=C5
InChI=1SC21H25N9O2Sc1261716(18(31)27(2)21(26)32)29(19(2217)28117481228)1314332023242530(20)1595361015h356910H4781114H212H3
MFCD04155186
ZINC000009156872
ZINC09156872
ZINC9156872
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