Vitas-M small molecule compound
7-[(2E)-but-2-en-1-yl]-8-(ethylamino)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL513528
SMILES CCNc1nc2c(n1C/C=C/C)c(=O)[nH]c(=O)n2C
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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 C12H17N5O2 MW 263.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N5O2/c1-4-6-7-17-8-9(14-11(17)13-5-2)16(3)12(19)15-10(8)18/h4,6H,5,7H2,1-3H3,(H,13,14)(H,15,18,19)/b6-4+InChIKey
XAIQJAOSXDAKFQ-GQCTYLIASA-NSynonyms
303973-91-3(E)7(BUT2EN1YL)8(ETHYLAMINO)3METHYL1HPURINE26(3H7H)DIONE
303973913
5742115
7((~(E))but2enyl)8(ethylamino)3methylpurine26dione
7((2E)but2en1yl)8(ethylamino)3methyl37dihydro1Hpurine26dione
7((2E)BUT2ENYL)8(ETHYLAMINO)3METHYL137TRIHYDROPURINE26DIONE
7((E)BUT2ENYL)8(ETHYLAMINO)3METHYLPURINE26DIONE
7BUT2ENYL8ETHYLAMINO3METHYL37DIHYDROPURINE26DIONE
CCNc1nc2c(n1CC=CC)c(=O)(nH)c(=O)n2C
InChI=1SC12H17N5O2c14671789(1411(17)1352)16(3)12(19)1510(8)18h46H57H213H3(H1314)(H151819)b64+
MFCD01545025
ZINC000003984251
ZINC3984251
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