Vitas-M small molecule compound
8-[(3-hydroxypropyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK015708
SMILES OCCCNc1nc2c(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 C18H20F3N5O3 MW 411.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20F3N5O3/c1-24-14-13(15(28)25(2)17(24)29)26(16(23-14)22-7-4-8-27)10-11-5-3-6-12(9-11)18(19,20)21/h3,5-6,9,27H,4,7-8,10H2,1-2H3,(H,22,23)InChIKey
GKKCGCQXGCRNJD-UHFFFAOYSA-NSynonyms
364743-72-6364743726
8((3hydroxypropyl)amino)13dimethyl7(3(trifluoromethyl)benzyl)1Hpurine26(3H7H)dione
8((3HYDROXYPROPYL)AMINO)13DIMETHYL7(3(TRIFLUOROMETHYL)BENZYL)37DIHYDRO1HPURINE26DIONE
8(3HYDROXYPROPYLAMINO)13DIMETHYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCO)CC3=CC(=CC=C3)C(F)(F)F
InChI=1SC18H20F3N5O3c1241413(15(28)25(2)17(24)29)26(16(2314)2274827)101153612(911)18(1920)21h356927H47810H212H3(H2223)
MFCD01554100
OCCCNc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C
STK015708
ZINC000013116301
ZINC13116301
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