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-(2-fluorophenyl)acetamide
Catalog ID
STL081346
SMILES O=C(Nc1ccccc1F)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)F)F
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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 C18H12F3N5O3 MW 403.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12F3N5O3/c19-10-6-5-9(7-12(10)21)26-17(28)15-16(18(26)29)25(24-23-15)8-14(27)22-13-4-2-1-3-11(13)20/h1-7,15-16H,8H2,(H,22,27)InChIKey
IXXYABAZZBPDFU-UHFFFAOYSA-NSynonyms
1008274-82-51008274825
2(5(34difluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(2fluorophenyl)acetamide
2(5(34difluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(2fluorophenyl)acetamide
C1=CC=C(C(=C1)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=C(C=C4)F)F)N=N2)F
InChI=1SC18H12F3N5O3c1910659(712(10)21)2617(28)1516(18(26)29)25(242315)814(27)2213421311(13)20h171516H8H2(H2227)
MFCD07655904
ZINC000004483986
ZINC000101169040
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