Vitas-M small molecule compound
1,3-dimethyl-8-[(pyridin-3-ylmethyl)amino]-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK050543
SMILES Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1cccc(c1)C(F)(F)F)NCc1cccnc1
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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 C21H19F3N6O2 MW 444.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F3N6O2/c1-28-17-16(18(31)29(2)20(28)32)30(12-13-5-3-7-15(9-13)21(22,23)24)19(27-17)26-11-14-6-4-8-25-10-14/h3-10H,11-12H2,1-2H3,(H,26,27)InChIKey
PQUUMFBNVFTRNU-UHFFFAOYSA-NSynonyms
305866-33-513DIMETHYL8((3PYRIDINYLMETHYL)AMINO)7(3(TRIFLUOROMETHYL)BENZYL)37DIHYDRO1HPURINE26DIONE
13dimethyl8((pyridin3ylmethyl)amino)7(3(trifluoromethyl)benzyl)1Hpurine26(3H7H)dione
13DIMETHYL8((PYRIDIN3YLMETHYL)AMINO)7(3(TRIFLUOROMETHYL)BENZYL)37DIHYDRO1HPURINE26DIONE
13DIMETHYL8(PYRIDIN3YLMETHYLAMINO)7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
305866335
Cn1c(=O)n(C)c(=O)c2c1nc(n2Cc1cccc(c1)C(F)(F)F)NCc1cccnc1
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CN=CC=C3)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC21H19F3N6O2c1281716(18(31)29(2)20(28)32)30(121353715(913)21(2223)24)19(2717)261114648251014h310H1112H212H3(H2627)
MFCD01553923
STK050543
ZINC000049574158
ZINC49574158
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