Vitas-M small molecule compound
N-(3,4-dimethoxyphenyl)-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
STL081440
SMILES COc1ccc(cc1OC)NC(=O)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 C23H25N5O5 MW 451.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O5/c1-13(2)14-5-8-16(9-6-14)28-22(30)20-21(23(28)31)27(26-25-20)12-19(29)24-15-7-10-17(32-3)18(11-15)33-4/h5-11,13,20-21H,12H2,1-4H3,(H,24,29)InChIKey
COHCLPJLICIBIM-UHFFFAOYSA-NSynonyms
1052604-48-41052604484
CC(C)C1=CC=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC(=C(C=C4)OC)OC
InChI=1SC23H25N5O5c113(2)145816(9614)2822(30)2021(23(28)31)27(262520)1219(29)241571017(323)18(1115)334h511132021H12H214H3(H2429)
MFCD07655819
N(34dimethoxyphenyl)2(46dioxo5(4(propan2yl)phenyl)4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
N(34dimethoxyphenyl)2(46dioxo5(4propan2ylphenyl)3a6adihydropyrrolo(34d)triazol3yl)acetamide
ZINC000009836061
ZINC000101168410
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