Vitas-M small molecule compound
8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK573514
SMILES CCN1CCN(CC1)c1nc2c(n1CCSc1nccc(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 C20H28N8O2S MW 444.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H28N8O2S/c1-5-26-8-10-27(11-9-26)19-23-16-15(17(29)25(4)20(30)24(16)3)28(19)12-13-31-18-21-7-6-14(2)22-18/h6-7H,5,8-13H2,1-4H3InChIKey
QFFZKCRPLSADBN-UHFFFAOYSA-NSynonyms
850914-75-98(4ethylpiperazin1yl)13dimethyl7(2((4methylpyrimidin2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
8(4ETHYLPIPERAZIN1YL)13DIMETHYL7(2((4METHYLPYRIMIDIN2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
8(4ETHYLPIPERAZIN1YL)13DIMETHYL7(2(4METHYLPYRIMIDIN2YL)SULFANYLETHYL)PURINE26DIONE
8(4ETHYLPIPERAZINYL)13DIMETHYL7(2(4METHYLPYRIMIDIN2YLTHIO)ETHYL)137TRIHYDROPURINE26DIONE
850914759
CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC=CC(=N4)C)C(=O)N(C(=O)N3C)C
InChI=1SC20H28N8O2Sc152681027(11926)19231615(17(29)25(4)20(30)24(16)3)28(19)12133118217614(2)2218h67H5813H214H3
MFCD04456949
ZINC000002236449
ZINC2236449
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