Vitas-M small molecule compound
8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK585198
SMILES Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCN(CC1)Cc1ccccc1
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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 C25H30N8O2S MW 506.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N8O2S/c1-18-9-10-26-23(27-18)36-16-15-33-20-21(29(2)25(35)30(3)22(20)34)28-24(33)32-13-11-31(12-14-32)17-19-7-5-4-6-8-19/h4-10H,11-17H2,1-3H3InChIKey
TYUGMZZOGXIDDT-UHFFFAOYSA-NSynonyms
850914-81-713DIMETHYL7(2(4METHYLPYRIMIDIN2YLTHIO)ETHYL)8(4BENZYLPIPERAZINYL)137TRIHYDROPURINE26DIONE
8(4benzylpiperazin1yl)13dimethyl7(2((4methylpyrimidin2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
8(4BENZYLPIPERAZIN1YL)13DIMETHYL7(2((4METHYLPYRIMIDIN2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
8(4BENZYLPIPERAZIN1YL)13DIMETHYL7(2(4METHYLPYRIMIDIN2YL)SULFANYLETHYL)PURINE26DIONE
850914817
CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCN(CC4)CC5=CC=CC=C5)N(C(=O)N(C3=O)C)C
InChI=1SC25H30N8O2Sc1189102623(2718)361615332021(29(2)25(35)30(3)22(20)34)2824(33)32131131(121432)17197546819h410H1117H213H3
MFCD04456955
ZINC000056992074
ZINC56992074
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