Vitas-M small molecule compound
N-(2,6-dimethylphenyl)-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
STL081442
SMILES O=C(Nc1c(C)cccc1C)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 C23H25N5O3 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3/c1-13(2)16-8-10-17(11-9-16)28-22(30)20-21(23(28)31)27(26-25-20)12-18(29)24-19-14(3)6-5-7-15(19)4/h5-11,13,20-21H,12H2,1-4H3,(H,24,29)InChIKey
PRWPHYKMELVVDO-UHFFFAOYSA-NSynonyms
1052548-73-81052548738
CC1=C(C(=CC=C1)C)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC=C(C=C4)C(C)C)N=N2
InChI=1SC23H25N5O3c113(2)1681017(11916)2822(30)2021(23(28)31)27(262520)1218(29)241914(3)65715(19)4h511132021H12H214H3(H2429)
MFCD08140483
N(26dimethylphenyl)2(46dioxo5(4(propan2yl)phenyl)4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
N(26dimethylphenyl)2(46dioxo5(4propan2ylphenyl)3a6adihydropyrrolo(34d)triazol3yl)acetamide
ZINC000006770242
ZINC000101170574
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