Vitas-M small molecule compound
8-[benzyl(methyl)amino]-7-[(2E)-3-chlorobut-2-en-1-yl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL005455
SMILES C/C(=C\Cn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)C)/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 C19H22ClN5O2 MW 387.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22ClN5O2/c1-13(20)10-11-25-15-16(23(3)19(27)24(4)17(15)26)21-18(25)22(2)12-14-8-6-5-7-9-14/h5-10H,11-12H2,1-4H3/b13-10+InChIKey
ZFKNVBQICUFZKT-JLHYYAGUSA-NSynonyms
(E)8(benzyl(methyl)amino)7(3chlorobut2en1yl)13dimethyl1Hpurine26(3H7H)dione
8(benzyl(methyl)amino)7((2E)3chlorobut2en1yl)13dimethyl37dihydro1Hpurine26dione
8(BENZYL(METHYL)AMINO)7((E)3CHLOROBUT2ENYL)13DIMETHYLPURINE26DIONE
CC(=CCn1c(nc2c1c(=O)n(c(=O)n2C)C)N(Cc1ccccc1)C)Cl
CC(=CCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC19H22ClN5O2c113(20)1011251516(23(3)19(27)24(4)17(15)26)2118(25)22(2)12148657914h510H1112H214H3b1310+
MFCD03933705
ZINC000004541176
ZINC04541176
ZINC4541176
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