Vitas-M small molecule compound
N-(4-bromo-2-fluorophenyl)-2-[5-(3-chloro-4-methylphenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL085400
SMILES O=C(Nc1ccc(cc1F)Br)CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)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 C19H14BrClFN5O3 MW 494.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrClFN5O3/c1-9-2-4-11(7-12(9)21)27-18(29)16-17(19(27)30)26(25-24-16)8-15(28)23-14-5-3-10(20)6-13(14)22/h2-7,16-17H,8H2,1H3,(H,23,28)InChIKey
WEKSTXHKDAKTAB-UHFFFAOYSA-NSynonyms
1052560-97-01052560970
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=C(C=C(C=C4)Br)F)Cl
InChI=1SC19H14BrClFN5O3c192411(712(9)21)2718(29)1617(19(27)30)26(252416)815(28)23145310(20)613(14)22h271617H8H21H3(H2328)
MFCD07650266
N(4bromo2fluorophenyl)2(5(3chloro4methylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(4bromo2fluorophenyl)2(5(3chloro4methylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009748633
ZINC000100036776
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