Vitas-M small molecule compound
N-(2,4-difluorophenyl)-2-{4,6-dioxo-5-[4-(propan-2-yl)phenyl]-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl}acetamide
Catalog ID
STL081444
SMILES O=C(Nc1ccc(cc1F)F)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)C(C)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 C21H19F2N5O3 MW 427.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19F2N5O3/c1-11(2)12-3-6-14(7-4-12)28-20(30)18-19(21(28)31)27(26-25-18)10-17(29)24-16-8-5-13(22)9-15(16)23/h3-9,11,18-19H,10H2,1-2H3,(H,24,29)InChIKey
TVDBKRLARJXULO-UHFFFAOYSA-NSynonyms
1052604-57-51052604575
CC(C)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=C(C=C(C=C4)F)F
InChI=1SC21H19F2N5O3c111(2)123614(7412)2820(30)1819(21(28)31)27(262518)1017(29)24168513(22)915(16)23h39111819H10H212H3(H2429)
MFCD07655823
N(24difluorophenyl)2(46dioxo5(4(propan2yl)phenyl)4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
N(24difluorophenyl)2(46dioxo5(4propan2ylphenyl)3a6adihydropyrrolo(34d)triazol3yl)acetamide
ZINC000009836067
ZINC000101168451
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