Vitas-M small molecule compound
2-[3-(3,5-difluorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(4-ethylphenyl)acetamide
Catalog ID
STK879272
SMILES CCc1ccc(cc1)NC(=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 C21H18F2N6O2 MW 424.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F2N6O2/c1-2-13-3-5-17(6-4-13)25-18(30)11-28-12-24-20-19(21(28)31)26-27-29(20)10-14-7-15(22)9-16(23)8-14/h3-9,12H,2,10-11H2,1H3,(H,25,30)InChIKey
IBZCIFCUEMOSIQ-UHFFFAOYSA-NSynonyms
2(3((35difluorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(4ethylphenyl)acetamide
2(3(35difluorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(4ethylphenyl)acetamide
CCC1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC(=C4)F)F
InChI=1SC21H18F2N6O2c12133517(6413)2518(30)112812242019(21(28)31)262729(20)1014715(22)916(23)814h3912H21011H21H3(H2530)
MFCD18170619
ZINC000040478064
ZINC40478064
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