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-(3,4,5-trimethoxyphenyl)acetamide
Catalog ID
STK879312
SMILES COc1cc(NC(=O)Cn2cnc3c(c2=O)nnn3Cc2cc(F)cc(c2)F)cc(c1OC)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 C22H20F2N6O5 MW 486.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20F2N6O5/c1-33-16-7-15(8-17(34-2)20(16)35-3)26-18(31)10-29-11-25-21-19(22(29)32)27-28-30(21)9-12-4-13(23)6-14(24)5-12/h4-8,11H,9-10H2,1-3H3,(H,26,31)InChIKey
XSOVJAPCADOZQB-UHFFFAOYSA-NSynonyms
2(3((35difluorophenyl)methyl)7oxotriazolo(45d)pyrimidin6yl)N(345trimethoxyphenyl)acetamide
2(3(35difluorobenzyl)7oxo37dihydro6H(123)triazolo(45d)pyrimidin6yl)N(345trimethoxyphenyl)acetamide
COC1=CC(=CC(=C1OC)OC)NC(=O)CN2C=NC3=C(C2=O)N=NN3CC4=CC(=CC(=C4)F)F
InChI=1SC22H20F2N6O5c13316715(817(342)20(16)353)2618(31)102911252119(22(29)32)272830(21)912413(23)614(24)512h4811H910H213H3(H2631)
MFCD18170659
ZINC000040478104
ZINC40478104
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