Vitas-M small molecule compound
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-8-[4-(2-hydroxyethyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK852351
SMILES OCCN1CCN(CC1)c1nc2c(n1CCSc1nc3c(o1)cccc3)c(=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 C22H27N7O4S MW 485.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N7O4S/c1-25-18-17(19(31)26(2)22(25)32)29(20(24-18)28-9-7-27(8-10-28)11-13-30)12-14-34-21-23-15-5-3-4-6-16(15)33-21/h3-6,30H,7-14H2,1-2H3InChIKey
NKSBYJAYMSRSJX-UHFFFAOYSA-NSynonyms
850914-91-97(2(13benzoxazol2ylsulfanyl)ethyl)8(4(2hydroxyethyl)piperazin1yl)13dimethyl37dihydro1Hpurine26dione
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)8(4(2HYDROXYETHYL)PIPERAZIN1YL)13DIMETHYLPURINE26DIONE
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)8(4(2HYDROXYETHYL)PIPERAZIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)8(4(2HYDROXYETHYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
850914919
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CCO)CCSC4=NC5=CC=CC=C5O4
InChI=1SC22H27N7O4Sc1251817(19(31)26(2)22(25)32)29(20(2418)289727(81028)111330)121434212315534616(15)3321h3630H714H212H3
MFCD04456965
ZINC000020533186
ZINC20533186
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