Vitas-M small molecule compound
3,7-dimethyl-1-[(2E)-3-phenylprop-2-en-1-yl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL510789
SMILES O=c1n(C/C=C/c2ccccc2)c(=O)c2c(n1C)ncn2C
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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/c1-18-11-17-14-13(18)15(21)20(16(22)19(14)2)10-6-9-12-7-4-3-5-8-12/h3-9,11H,10H2,1-2H3/b9-6+InChIKey
JRYRALKJGZYKHM-RMKNXTFCSA-NSynonyms
374709-53-21CINNAMYL37DIMETHYL1HPURINE26(3H7H)DIONE
1CINNAMYL37DIMETHYL37DIHYDRO1HPURINE26DIONE
374709532
37dimethyl1((~(E))3phenylprop2enyl)purine26dione
37dimethyl1((2E)3phenylprop2en1yl)37dihydro1Hpurine26dione
37DIMETHYL1((E)3PHENYLPROP2ENYL)PURINE26DIONE
37DIMETHYL1(3PHENYLALLYL)37DIHYDROPURINE26DIONE
706867
InChI=1SC16H16N4O2c11811171413(18)15(21)20(16(22)19(14)2)1069127435812h3911H10H212H3b96+
MFCD01845091
O=c1n(CC=Cc2ccccc2)c(=O)c2c(n1C)ncn2C
ZINC000000093654
ZINC93654
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