Vitas-M small molecule compound
N-[1-benzyl-2,4,6-trioxo-5-(trifluoromethyl)-2,3,4,5,6,7-hexahydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-ethoxybenzamide
Catalog ID
STK779066
SMILES CCOc1ccccc1C(=O)NC1(C(=O)Nc2c1c(=O)[nH]c(=O)n2Cc1ccccc1)C(F)(F)F
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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 C23H19F3N4O5 MW 488.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19F3N4O5/c1-2-35-15-11-7-6-10-14(15)18(31)29-22(23(24,25)26)16-17(27-20(22)33)30(21(34)28-19(16)32)12-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,27,33)(H,29,31)(H,28,32,34)InChIKey
HMDPXIIZPZEVNL-UHFFFAOYSA-NSynonyms
CCOC1=CC=CC=C1C(=O)NC2(C3=C(NC2=O)N(C(=O)NC3=O)CC4=CC=CC=C4)C(F)(F)F
CCOc1ccccc1C(=O)NC1(C(=O)Nc2c1c(=O)(nH)c(=O)n2Cc1ccccc1)C(F)(F)F
InChI=1SC23H19F3N4O5c12351511761014(15)18(31)2922(23(2425)26)1617(2720(22)33)30(21(34)2819(16)32)12138435913h311H212H21H3(H2733)(H2931)(H283234)
MFCD05857931
N(1benzyl246trioxo5(trifluoromethyl)234567hexahydro1Hpyrrolo(23d)pyrimidin5yl)2ethoxybenzamide
N(1BENZYL246TRIOXO5(TRIFLUOROMETHYL)7HPYRROLO(23D)PYRIMIDIN5YL)2ETHOXYBENZAMIDE
ZINC000100177365
ZINC000100177369
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