Vitas-M small molecule compound
N-(4-bromo-2-fluorophenyl)-2-[5-(3,5-dimethylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL193046
SMILES O=C(Nc1ccc(cc1F)Br)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 C20H17BrFN5O3 MW 474.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrFN5O3/c1-10-5-11(2)7-13(6-10)27-19(29)17-18(20(27)30)26(25-24-17)9-16(28)23-15-4-3-12(21)8-14(15)22/h3-8,17-18H,9H2,1-2H3,(H,23,28)InChIKey
LHVSDVCSZNSHSR-UHFFFAOYSA-NSynonyms
1052559-39-31052559393
CC1=CC(=CC(=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=C(C=C(C=C4)Br)F)C
InChI=1SC20H17BrFN5O3c110511(2)713(610)2719(29)1718(20(27)30)26(252417)916(28)23154312(21)814(15)22h381718H9H212H3(H2328)
MFCD07650245
N(4bromo2fluorophenyl)2(5(35dimethylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(4bromo2fluorophenyl)2(5(35dimethylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009748217
ZINC000101083549
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