Vitas-M small molecule compound
7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-8-(4-ethylpiperazin-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL343015
SMILES CCN1CCN(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 C21H30N8O2S MW 458.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N8O2S/c1-6-27-7-9-28(10-8-27)20-24-17-16(18(30)26(5)21(31)25(17)4)29(20)11-12-32-19-22-14(2)13-15(3)23-19/h13H,6-12H2,1-5H3InChIKey
QOBJWFDNRCPEKR-UHFFFAOYSA-NSynonyms
838903-85-87(2((46dimethylpyrimidin2yl)sulfanyl)ethyl)8(4ethylpiperazin1yl)13dimethyl37dihydro1Hpurine26dione
7(2((46dimethylpyrimidin2yl)thio)ethyl)8(4ethylpiperazin1yl)13dimethyl1Hpurine26(3H7H)dione
7(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLETHYL)8(4ETHYLPIPERAZIN1YL)13DIMETHYLPURINE26DIONE
7(2(46DIMETHYLPYRIMIDIN2YLTHIO)ETHYL)8(4ETHYLPIPERAZINYL)13DIMETHYL137TRIHYDROPURINE26DIONE
838903858
CCN1CCN(CC1)C2=NC3=C(N2CCSC4=NC(=CC(=N4)C)C)C(=O)N(C(=O)N3C)C
InChI=1SC21H30N8O2Sc16277928(10827)20241716(18(30)26(5)21(31)25(17)4)29(20)111232192214(2)1315(3)2319h13H612H215H3
MFCD04161116
ZINC000009001555
ZINC9001555
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