Vitas-M small molecule compound
2-[5-(3-chlorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]-N-(2,4,6-trimethylphenyl)acetamide
Catalog ID
STL094799
SMILES O=C(Nc1c(C)cc(cc1C)C)CN1N=NC2C1C(=O)N(C2=O)c1cccc(c1)Cl
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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 C21H20ClN5O3 MW 425.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN5O3/c1-11-7-12(2)17(13(3)8-11)23-16(28)10-26-19-18(24-25-26)20(29)27(21(19)30)15-6-4-5-14(22)9-15/h4-9,18-19H,10H2,1-3H3,(H,23,28)InChIKey
KPUBFZJZPIUNRL-UHFFFAOYSA-NSynonyms
2(5(3chlorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)N(246trimethylphenyl)acetamide
2(5(3chlorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)N(246trimethylphenyl)acetamide
CC1=CC(=C(C(=C1)C)NC(=O)CN2C3C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)N=N2)C
InChI=1SC21H20ClN5O3c111712(2)17(13(3)811)2316(28)10261918(242526)20(29)27(21(19)30)1564514(22)915h491819H10H213H3(H2328)
MFCD18788186
ZINC000067240836
ZINC000095481486
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