Vitas-M small molecule compound
8-(azepan-1-yl)-7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK854843
SMILES C/C(=C\Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCCC1)/Cl
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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 C17H24ClN5O2 MW 365.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24ClN5O2/c1-12(18)8-11-23-13-14(20(2)17(25)21(3)15(13)24)19-16(23)22-9-6-4-5-7-10-22/h8H,4-7,9-11H2,1-3H3/b12-8+InChIKey
QRXRVWFDWJXAOS-XYOKQWHBSA-NSynonyms
1164498-23-0(E)8(azepan1yl)7(3chlorobut2en1yl)13dimethyl1Hpurine26(3H7H)dione
1164498230
8(azepan1yl)7((2E)3chlorobut2en1yl)13dimethyl37dihydro1Hpurine26dione
8(AZEPAN1YL)7((E)3CHLOROBUT2ENYL)13DIMETHYLPURINE26DIONE
8AZEPAN1YL7((E)3CHLOROBUT2ENYL)13DIMETHYL37DIHYDROPURINE26DIONE
CC(=CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N1CCCCCC1)Cl
CC(=CCN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC17H24ClN5O2c112(18)811231314(20(2)17(25)21(3)15(13)24)1916(23)22964571022h8H47911H213H3b128+
MFCD03933701
ZINC000004541173
ZINC04541173
ZINC4541173
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