Vitas-M small molecule compound
8-(azepan-1-yl)-7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK845697
SMILES Cn1c(=O)n(C)c2c(c1=O)n(CCSc1nc3c(o1)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 C22H26N6O3S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H26N6O3S/c1-25-18-17(19(29)26(2)22(25)30)28(20(24-18)27-11-7-3-4-8-12-27)13-14-32-21-23-15-9-5-6-10-16(15)31-21/h5-6,9-10H,3-4,7-8,11-14H2,1-2H3InChIKey
VPYXFBKVULDVRU-UHFFFAOYSA-NSynonyms
501352-39-2501352392
8(azepan1yl)7(2(13benzoxazol2ylsulfanyl)ethyl)13dimethyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)13DIMETHYLPURINE26DIONE
8(azepan1yl)7(2(benzo(d)oxazol2ylthio)ethyl)13dimethyl1Hpurine26(3H7H)dione
8AZAPERHYDROEPINYL7(2BENZOXAZOL2YLTHIOETHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
8AZEPAN1YL7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCCCC3)CCSC4=NC5=CC=CC=C5O4
InChI=1SC22H26N6O3Sc1251817(19(29)26(2)22(25)30)28(20(2418)271173481227)1314322123159561016(15)3121h56910H34781114H212H3
MFCD04034247
ZINC000006531103
ZINC06531103
ZINC6531103
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