Vitas-M small molecule compound
1,3-dimethyl-7-[(2E)-3-phenylprop-2-en-1-yl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL510788
SMILES Cn1c(=O)n(C)c2c(c1=O)n(C/C=C/c1ccccc1)cn2
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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 C16H16N4O2 MW 296.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O2/c1-18-14-13(15(21)19(2)16(18)22)20(11-17-14)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+InChIKey
RJNUFOUBHWPPMX-RMKNXTFCSA-NSynonyms
374709-44-113dimethyl7((~(E))3phenylprop2enyl)purine26dione
13dimethyl7((2E)3phenylprop2en1yl)37dihydro1Hpurine26dione
13DIMETHYL7((E)3PHENYL2PROPENYL)37DIHYDRO1HPURINE26DIONE
13DIMETHYL7((E)3PHENYLPROP2ENYL)PURINE26DIONE
13DIMETHYL7(3PHENYLALLYL)37DIHYDROPURINE26DIONE
374709441
5395996
7CINNAMYL13DIMETHYL1HPURINE26(3H7H)DIONE
7CINNAMYL13DIMETHYL37DIHYDRO1HPURINE26DIONE
Cn1c(=O)n(C)c2c(c1=O)n(CC=Cc1ccccc1)cn2
InChI=1SC16H16N4O2c1181413(15(21)19(2)16(18)22)20(111714)1069127435812h3911H10H212H3b96+
MFCD01845069
ZINC000000093639
ZINC93639
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