Vitas-M small molecule compound
7-[2-(1,3-benzoxazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(4-phenylpiperazin-1-yl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK845181
SMILES Cn1c(=O)n(C)c(=O)c2c1nc(n2CCSc1nc2c(o1)cccc2)N1CCN(CC1)c1ccccc1
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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 C26H27N7O3S MW 517.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27N7O3S/c1-29-22-21(23(34)30(2)26(29)35)33(16-17-37-25-27-19-10-6-7-11-20(19)36-25)24(28-22)32-14-12-31(13-15-32)18-8-4-3-5-9-18/h3-11H,12-17H2,1-2H3InChIKey
XYGBFKQGSLUDNF-UHFFFAOYSA-NSynonyms
501352-45-0501352450
7(2(13benzoxazol2ylsulfanyl)ethyl)13dimethyl8(4phenylpiperazin1yl)37dihydro1Hpurine26dione
7(2(13BENZOXAZOL2YLSULFANYL)ETHYL)13DIMETHYL8(4PHENYLPIPERAZIN1YL)PURINE26DIONE
7(2(BENZO(D)OXAZOL2YLTHIO)ETHYL)13DIMETHYL8(4PHENYLPIPERAZIN1YL)1HPURINE26(3H7H)DIONE
7(2BENZOXAZOL2YLTHIOETHYL)13DIMETHYL8(4PHENYLPIPERAZINYL)137TRIHYDROPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CCSC5=NC6=CC=CC=C6O5
InChI=1SC26H27N7O3Sc1292221(23(34)30(2)26(29)35)33(16173725271910671120(19)3625)24(2822)32141231(131532)188435918h311H1217H212H3
MFCD04015772
ZINC000009392060
ZINC09392060
ZINC9392060
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