Vitas-M small molecule compound
8-(azepan-1-yl)-7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006269
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c(s1)cccc3)c(n2)N1CCCCCC1
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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 C22H26N6O2S2 MW 470.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O2S2/c1-25-18-17(19(29)26(2)22(25)30)28(20(24-18)27-11-7-3-4-8-12-27)13-14-31-21-23-15-9-5-6-10-16(15)32-21/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3InChIKey
IUFWBQRNJPSUHP-UHFFFAOYSA-NSynonyms
501352-38-1501352381
8(azepan1yl)7(2(13benzothiazol2ylsulfanyl)ethyl)13dimethyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)13DIMETHYLPURINE26DIONE
8(AZEPAN1YL)7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)13DIMETHYL1HPURINE26(3H7H)DIONE
8AZAPERHYDROEPINYL7(2BENZOTHIAZOL2YLTHIOETHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CCSC4=NC5=CC=CC=C5S4
InChI=1SC22H26N6O2S2c1251817(19(29)26(2)22(25)30)28(20(2418)271173481227)1314312123159561016(15)3221h56910H34781114H212H3
MFCD04017959
ZINC000009392056
ZINC09392056
ZINC9392056
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