Vitas-M small molecule compound
ethyl 2-({[3-(3,5-difluorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetyl}amino)benzoate
Catalog ID
STK879288
SMILES CCOC(=O)c1ccccc1NC(=O)Cn1cnc2c(c1=O)nnn2Cc1cc(F)cc(c1)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 C22H18F2N6O4 MW 468.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18F2N6O4/c1-2-34-22(33)16-5-3-4-6-17(16)26-18(31)11-29-12-25-20-19(21(29)32)27-28-30(20)10-13-7-14(23)9-15(24)8-13/h3-9,12H,2,10-11H2,1H3,(H,26,31)InChIKey
HJQVDOJOBVBEHO-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC(=C4)F)F
ethyl2(((3(35difluorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
ethyl2((2(3((35difluorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetyl)amino)benzoate
InChI=1SC22H18F2N6O4c123422(33)16534617(16)2618(31)112912252019(21(29)32)272830(20)1013714(23)915(24)813h3912H21011H21H3(H2631)
MFCD18170635
ZINC000040478080
ZINC40478080
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