Vitas-M small molecule compound
8-[(2-hydroxypropyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STL296048
SMILES CC(CNc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=O)n(c(=O)n2C)C)O
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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/c1-10(27)8-22-16-23-14-13(15(28)25(3)17(29)24(14)2)26(16)9-11-5-4-6-12(7-11)18(19,20)21/h4-7,10,27H,8-9H2,1-3H3,(H,22,23)InChIKey
ZSDPGBRXOINUHY-UHFFFAOYSA-NSynonyms
373371-82-5373371825
8((2hydroxypropyl)amino)13dimethyl7(3(trifluoromethyl)benzyl)1Hpurine26(3H7H)dione
8((2hydroxypropyl)amino)13dimethyl7(3(trifluoromethyl)benzyl)37dihydro1Hpurine26dione
8(2HYDROXYPROPYLAMINO)13DIMETHYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
CC(CNC1=NC2=C(N1CC3=CC(=CC=C3)C(F)(F)F)C(=O)N(C(=O)N2C)C)O
InChI=1SC18H20F3N5O3c110(27)82216231413(15(28)25(3)17(29)24(14)2)26(16)91154612(711)18(1920)21h471027H89H213H3(H2223)
MFCD01946075
ZINC000013116076
ZINC000013116077
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