Vitas-M small molecule compound
8-(azepan-1-yl)-7-{2-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]ethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL006700
SMILES Cc1cc(C)nc(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 C21H29N7O2S MW 443.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H29N7O2S/c1-14-13-15(2)23-19(22-14)31-12-11-28-16-17(25(3)21(30)26(4)18(16)29)24-20(28)27-9-7-5-6-8-10-27/h13H,5-12H2,1-4H3InChIKey
ZJRRSYOKPOZOGX-UHFFFAOYSA-NSynonyms
797775-38-3797775383
8(azepan1yl)7(2((46dimethylpyrimidin2yl)sulfanyl)ethyl)13dimethyl37dihydro1Hpurine26dione
8(azepan1yl)7(2((46dimethylpyrimidin2yl)thio)ethyl)13dimethyl1Hpurine26(3H7H)dione
8(AZEPAN1YL)7(2(46DIMETHYLPYRIMIDIN2YL)SULFANYLETHYL)13DIMETHYLPURINE26DIONE
8AZAPERHYDROEPINYL7(2(46DIMETHYLPYRIMIDIN2YLTHIO)ETHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
CC1=CC(=NC(=N1)SCCN2C3=C(N=C2N4CCCCCC4)N(C(=O)N(C3=O)C)C)C
InChI=1SC21H29N7O2Sc1141315(2)2319(2214)311211281617(25(3)21(30)26(4)18(16)29)2420(28)27975681027h13H512H214H3
MFCD04175312
ZINC000000812587
ZINC00812587
ZINC812587
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