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-(3,5-dimethoxyphenyl)acetamide
Catalog ID
STK879299
SMILES COc1cc(NC(=O)Cn2cnc3c(c2=O)nnn3Cc2cc(F)cc(c2)F)cc(c1)OC
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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 C21H18F2N6O4 MW 456.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18F2N6O4/c1-32-16-6-15(7-17(8-16)33-2)25-18(30)10-28-11-24-20-19(21(28)31)26-27-29(20)9-12-3-13(22)5-14(23)4-12/h3-8,11H,9-10H2,1-2H3,(H,25,30)InChIKey
SLFVCTGSGFWZCK-UHFFFAOYSA-NSynonyms
2(3((35difluorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(35dimethoxyphenyl)acetamide
2(3(35difluorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(35dimethoxyphenyl)acetamide
COC1=CC(=CC(=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC(=C4)F)F)OC
InChI=1SC21H18F2N6O4c13216615(717(816)332)2518(30)102811242019(21(28)31)262729(20)912313(22)514(23)412h3811H910H212H3(H2530)
MFCD18170646
ZINC000040478091
ZINC40478091
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