Vitas-M small molecule compound

8-(4-benzylpiperazin-1-yl)-1,3-dimethyl-7-[2-(pyrimidin-2-ylsulfanyl)ethyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK595883
SMILES O=c1n(C)c2nc(n(c2c(=O)n1C)CCSc1ncccn1)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 C24H28N8O2S MW 492.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N8O2S/c1-28-20-19(21(33)29(2)24(28)34)32(15-16-35-22-25-9-6-10-26-22)23(27-20)31-13-11-30(12-14-31)17-18-7-4-3-5-8-18/h3-10H,11-17H2,1-2H3
InChIKey
ZXURCMPGNYBLEV-UHFFFAOYSA-N
Synonyms
850914-82-8
13DIMETHYL8(4BENZYLPIPERAZINYL)7(2PYRIMIDIN2YLTHIOETHYL)137TRIHYDROPURINE26DIONE
8(4benzylpiperazin1yl)13dimethyl7(2(pyrimidin2ylsulfanyl)ethyl)37dihydro1Hpurine26dione
8(4BENZYLPIPERAZIN1YL)13DIMETHYL7(2(PYRIMIDIN2YLTHIO)ETHYL)1HPURINE26(3H7H)DIONE
8(4BENZYLPIPERAZIN1YL)13DIMETHYL7(2PYRIMIDIN2YLSULFANYLETHYL)PURINE26DIONE
850914828
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)CC4=CC=CC=C4)CCSC5=NC=CC=N5
InChI=1SC24H28N8O2Sc1282019(21(33)29(2)24(28)34)32(151635222596102622)23(2720)31131130(121431)17187435818h310H1117H212H3
MFCD04456956
ZINC000056992077
ZINC56992077

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Available files

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