Vitas-M small molecule compound
1-(2-fluorobenzyl)-3,7-dimethyl-8-(prop-2-en-1-ylamino)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK526495
SMILES C=CCNc1nc2c(n1C)c(=O)n(c(=O)n2C)Cc1ccccc1F
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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 C17H18FN5O2 MW 343.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18FN5O2/c1-4-9-19-16-20-14-13(21(16)2)15(24)23(17(25)22(14)3)10-11-7-5-6-8-12(11)18/h4-8H,1,9-10H2,2-3H3,(H,19,20)InChIKey
SXQSQIIMASKDGJ-UHFFFAOYSA-NSynonyms
370074-63-81((2FLUOROPHENYL)METHYL)37DIMETHYL8(PROP2ENYLAMINO)PURINE26DIONE
1(2fluorobenzyl)37dimethyl8(prop2en1ylamino)37dihydro1Hpurine26dione
370074638
8(allylamino)1(2fluorobenzyl)37dimethyl1Hpurine26(3H7H)dione
CN1C2=C(N=C1NCC=C)N(C(=O)N(C2=O)CC3=CC=CC=C3F)C
InChI=1SC17H18FN5O2c1491916201413(21(16)2)15(24)23(17(25)22(14)3)1011756812(11)18h48H1910H223H3(H1920)
MFCD01555529
ZINC000013739056
ZINC13739056
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