Vitas-M small molecule compound
N-(3-chloro-4-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
STL193034
SMILES O=C(CN1N=NC2C1C(=O)N(C2=O)c1ccc(c(c1)Cl)C)Nc1ccc(c(c1)Cl)F
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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 C19H14Cl2FN5O3 MW 450.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14Cl2FN5O3/c1-9-2-4-11(7-12(9)20)27-18(29)16-17(19(27)30)26(25-24-16)8-15(28)23-10-3-5-14(22)13(21)6-10/h2-7,16-17H,8H2,1H3,(H,23,28)InChIKey
TUJLLDRGCFLDSP-UHFFFAOYSA-NSynonyms
1052560-83-41052560834
CC1=C(C=C(C=C1)N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=CC(=C(C=C4)F)Cl)Cl
InChI=1SC19H14Cl2FN5O3c192411(712(9)20)2718(29)1617(19(27)30)26(252416)815(28)23103514(22)13(21)610h271617H8H21H3(H2328)
MFCD07650265
N(3chloro4fluorophenyl)2(5(3chloro4methylphenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(3chloro4fluorophenyl)2(5(3chloro4methylphenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000009748615
ZINC000101083690
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