Vitas-M small molecule compound
8-(azepan-1-yl)-1,3-dimethyl-7-{2-[(4-methylpyrimidin-2-yl)sulfanyl]ethyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK853281
SMILES Cc1ccnc(n1)SCCn1c(nc2c1c(=O)n(C)c(=O)n2C)N1CCCCCC1
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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 C20H27N7O2S MW 429.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27N7O2S/c1-14-8-9-21-18(22-14)30-13-12-27-15-16(24(2)20(29)25(3)17(15)28)23-19(27)26-10-6-4-5-7-11-26/h8-9H,4-7,10-13H2,1-3H3InChIKey
NOBQWAWIZIDALY-UHFFFAOYSA-NSynonyms
850914-72-68(azepan1yl)13dimethyl7(2((4methylpyrimidin2yl)sulfanyl)ethyl)37dihydro1Hpurine26dione
8(AZEPAN1YL)13DIMETHYL7(2((4METHYLPYRIMIDIN2YL)THIO)ETHYL)1HPURINE26(3H7H)DIONE
8(AZEPAN1YL)13DIMETHYL7(2(4METHYLPYRIMIDIN2YL)SULFANYLETHYL)PURINE26DIONE
850914726
8AZAPERHYDROEPINYL13DIMETHYL7(2(4METHYLPYRIMIDIN2YLTHIO)ETHYL)137TRIHYDROPURINE26DIONE
CC1=NC(=NC=C1)SCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC20H27N7O2Sc114892118(2214)301312271516(24(2)20(29)25(3)17(15)28)2319(27)261064571126h89H471013H213H3
MFCD04456945
ZINC000009124262
ZINC09124262
ZINC9124262
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