Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-8-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL345042
SMILES C/C(=C\Cn1c(NCCCn2cncc2)nc2c1c(=O)n(c(=O)n2C)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 C17H22ClN7O2 MW 391.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22ClN7O2/c1-12(18)5-9-25-13-14(22(2)17(27)23(3)15(13)26)21-16(25)20-6-4-8-24-10-7-19-11-24/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,20,21)/b12-5+InChIKey
KCDUTSOUNWEPQT-LFYBBSHMSA-NSynonyms
478252-91-4(E)8((3(1Himidazol1yl)propyl)amino)7(3chlorobut2en1yl)13dimethyl1Hpurine26(3H7H)dione
478252914
7((2E)3chlorobut2en1yl)8((3(1Himidazol1yl)propyl)amino)13dimethyl37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)8(3IMIDAZOL1YLPROPYLAMINO)13DIMETHYLPURINE26DIONE
CC(=CCn1c(NCCCn2cncc2)nc2c1c(=O)n(c(=O)n2C)C)Cl
CC(=CCN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC17H22ClN7O2c112(18)59251314(22(2)17(27)23(3)15(13)26)2116(25)2064824107191124h571011H4689H213H3(H2021)b125+
MFCD03933676
ZINC000012378390
ZINC12378390
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