Vitas-M small molecule compound
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-8-[4-(4-methoxyphenyl)piperazin-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL003291
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2c(n1CCSc1nc(C)cc(n1)C)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 C26H32N8O3S MW 536.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N8O3S/c1-17-16-18(2)28-24(27-17)38-15-14-34-21-22(30(3)26(36)31(4)23(21)35)29-25(34)33-12-10-32(11-13-33)19-6-8-20(37-5)9-7-19/h6-9,16H,10-15H2,1-5H3InChIKey
SVBUITYHGTUERI-UHFFFAOYSA-NSynonyms
848753-44-67(2((46dimethylpyrimidin2yl)sulfanyl)ethyl)8(4(4methoxyphenyl)piperazin1yl)13dimethyl37dihydro1Hpurine26dione
7(2((46DIMETHYLPYRIMIDIN2YL)THIO)ETHYL)8(4(4METHOXYPHENYL)PIPERAZIN1YL)13DIMETHYL1HPURINE26(3H7H)DIONE
7(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLETHYL)8(4(4METHOXYPHENYL)PIPERAZIN1YL)13DIMETHYLPURINE26DIONE
7(2(46DIMETHYLPYRIMIDIN2YLTHIO)ETHYL)8(4(4METHOXYPHENYL)PIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
848753446
CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCN(CC4)C5=CC=C(C=C5)OC)N(C(=O)N(C3=O)C)C)C
InChI=1SC26H32N8O3Sc1171618(2)2824(2717)381514342122(30(3)26(36)31(4)23(21)35)2925(34)33121032(111333)196820(375)9719h6916H1015H215H3
MFCD04196543
ZINC000097954834
ZINC97954834
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.