Vitas-M small molecule compound
2-[5-(3,4-difluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(3,5-dimethylphenyl)acetamide
Catalog ID
STL081350
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)F)F)Nc1cc(C)cc(c1)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 C20H17F2N5O3 MW 413.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17F2N5O3/c1-10-5-11(2)7-12(6-10)23-16(28)9-26-18-17(24-25-26)19(29)27(20(18)30)13-3-4-14(21)15(22)8-13/h3-8,17-18H,9H2,1-2H3,(H,23,28)InChIKey
MPQIOQFGKWPURS-UHFFFAOYSA-NSynonyms
1008274-83-61008274836
2(5(34difluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(35dimethylphenyl)acetamide
2(5(34difluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(35dimethylphenyl)acetamide
CC1=CC(=CC(=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2)C
InChI=1SC20H17F2N5O3c110511(2)712(610)2316(28)9261817(242526)19(29)27(20(18)30)133414(21)15(22)813h381718H9H212H3(H2328)
MFCD07655905
ZINC000004483990
ZINC000101169049
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