Vitas-M small molecule compound
ethyl 2-({[5-(3,5-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetyl}amino)benzoate
Catalog ID
STL193033
SMILES CCOC(=O)c1ccccc1NC(=O)CN1N=NC2C1C(=O)N(C2=O)c1cc(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 C23H23N5O5 MW 449.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5/c1-4-33-23(32)16-7-5-6-8-17(16)24-18(29)12-27-20-19(25-26-27)21(30)28(22(20)31)15-10-13(2)9-14(3)11-15/h5-11,19-20H,4,12H2,1-3H3,(H,24,29)InChIKey
XLOVKIKKBWMGFL-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=CC=C1NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=CC(=C4)C)C)N=N2
ethyl2(((5(35dimethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetyl)amino)benzoate
ethyl2((2(5(35dimethylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetyl)amino)benzoate
InChI=1SC23H23N5O5c143323(32)16756817(16)2418(29)12272019(252627)21(30)28(22(20)31)151013(2)914(3)1115h5111920H412H213H3(H2429)
MFCD22390854
ZINC000022770436
ZINC000101352890
Check stock
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