Vitas-M small molecule compound
ethyl 4-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}oxy)benzoate
Catalog ID
STK778297
SMILES CCOC(=O)c1ccc(cc1)Oc1nc2c(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 C24H21F3N4O5 MW 502.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21F3N4O5/c1-4-35-21(33)15-8-10-17(11-9-15)36-22-28-19-18(20(32)30(3)23(34)29(19)2)31(22)13-14-6-5-7-16(12-14)24(25,26)27/h5-12H,4,13H2,1-3H3InChIKey
AUIXGUJTVAKULZ-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)OC2=NC3=C(N2CC4=CC(=CC=C4)C(F)(F)F)C(=O)N(C(=O)N3C)C
ethyl4((13dimethyl26dioxo7(3(trifluoromethyl)benzyl)2367tetrahydro1Hpurin8yl)oxy)benzoate
ETHYL4(13DIMETHYL26DIOXO7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURIN8YL)OXYBENZOATE
InChI=1SC24H21F3N4O5c143521(33)1581017(11915)3622281918(20(32)30(3)23(34)29(19)2)31(22)131465716(1214)24(2526)27h512H413H213H3
MFCD05856369
ZINC000001427108
ZINC01427108
ZINC1427108
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