Vitas-M small molecule compound
8-[(2-hydroxyethyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK022569
SMILES OCCNc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C
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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 C17H18F3N5O3 MW 397.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18F3N5O3/c1-23-13-12(14(27)24(2)16(23)28)25(15(22-13)21-6-7-26)9-10-4-3-5-11(8-10)17(18,19)20/h3-5,8,26H,6-7,9H2,1-2H3,(H,21,22)InChIKey
YVBOFCXGNQKZCD-UHFFFAOYSA-NSynonyms
8((2HYDROXYETHYL)AMINO)13DIMETHYL7(3(TRIFLUOROMETHYL)BENZYL)37DIHYDRO1HPURINE26DIONE
8(2HYDROXYETHYLAMINO)13DIMETHYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCO)CC3=CC(=CC=C3)C(F)(F)F
InChI=1SC17H18F3N5O3c1231312(14(27)24(2)16(23)28)25(15(2213)216726)91043511(810)17(1819)20h35826H679H212H3(H2122)
MFCD01553557
OCCNc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C
STK022569
ZINC000002344855
ZINC02344855
ZINC2344855
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