Vitas-M small molecule compound
N-(3-acetylphenyl)-2-[3-(3,5-difluorobenzyl)-7-oxo-3,7-dihydro-6H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
Catalog ID
STK879306
SMILES O=C(Cn1cnc2c(c1=O)nnn2Cc1cc(F)cc(c1)F)Nc1cccc(c1)C(=O)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 C21H16F2N6O3 MW 438.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F2N6O3/c1-12(30)14-3-2-4-17(7-14)25-18(31)10-28-11-24-20-19(21(28)32)26-27-29(20)9-13-5-15(22)8-16(23)6-13/h2-8,11H,9-10H2,1H3,(H,25,31)InChIKey
KUIURDKDLJTJPX-UHFFFAOYSA-NSynonyms
CC(=O)C1=CC(=CC=C1)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC(=C4)F)F
InChI=1SC21H16F2N6O3c112(30)1432417(714)2518(31)102811242019(21(28)32)262729(20)913515(22)816(23)613h2811H910H21H3(H2531)
MFCD18170653
N(3acetylphenyl)2(3((35difluorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)acetamide
N(3acetylphenyl)2(3(35difluorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)acetamide
ZINC000040478098
ZINC40478098
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