Vitas-M small molecule compound
7-[(2E)-3-chlorobut-2-en-1-yl]-8-(cyclohexylamino)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL007010
SMILES C/C(=C\Cn1c(NC2CCCCC2)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 C17H24ClN5O2 MW 365.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24ClN5O2/c1-11(18)9-10-23-13-14(21(2)17(25)22(3)15(13)24)20-16(23)19-12-7-5-4-6-8-12/h9,12H,4-8,10H2,1-3H3,(H,19,20)/b11-9+InChIKey
UKTQUJYTMUHQNO-PKNBQFBNSA-NSynonyms
(E)7(3chlorobut2en1yl)8(cyclohexylamino)13dimethyl1Hpurine26(3H7H)dione
7((2E)3chlorobut2en1yl)8(cyclohexylamino)13dimethyl37dihydro1Hpurine26dione
7((E)3CHLOROBUT2ENYL)8(CYCLOHEXYLAMINO)13DIMETHYLPURINE26DIONE
CC(=CCN1C2=C(N=C1NC3CCCCC3)N(C(=O)N(C2=O)C)C)Cl
InChI=1SC17H24ClN5O2c111(18)910231314(21(2)17(25)22(3)15(13)24)2016(23)19127546812h912H4810H213H3(H1920)b119+
MFCD03933679
ZINC000012378391
ZINC12378391
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