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-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
Catalog ID
STK879310
SMILES O=C(Cn1cnc2c(c1=O)nnn2Cc1cc(F)cc(c1)F)Nc1ccc2c(c1)OCCO2
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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 C21H16F2N6O4 MW 454.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F2N6O4/c22-13-5-12(6-14(23)7-13)9-29-20-19(26-27-29)21(31)28(11-24-20)10-18(30)25-15-1-2-16-17(8-15)33-4-3-32-16/h1-2,5-8,11H,3-4,9-10H2,(H,25,30)InChIKey
ZGZHWDGFHIKTQC-UHFFFAOYSA-NSynonyms
2(3((35difluorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(23dihydro14benzodioxin6yl)acetamide
2(3(35difluorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(23dihydro14benzodioxin6yl)acetamide
C1COC2=C(O1)C=CC(=C2)NC(=O)CN3C=NC4=C(C3=O)N=NN4CC5=CC(=CC(=C5)F)F
InChI=1SC21H16F2N6O4c2213512(614(23)713)9292019(262729)21(31)28(112420)1018(30)2515121617(815)33433216h125811H34910H2(H2530)
MFCD18170657
ZINC000040478102
ZINC40478102
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