Vitas-M small molecule compound
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[5-(4-fluorophenyl)-4,6-dioxo-4,5,6,6a-tetrahydropyrrolo[3,4-d][1,2,3]triazol-1(3aH)-yl]acetamide
Catalog ID
STL145708
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)F)CN1N=NC2C1C(=O)N(C2=O)c1ccc(cc1)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 C19H12ClF4N5O3 MW 469.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H12ClF4N5O3/c20-12-6-1-9(19(22,23)24)7-13(12)25-14(30)8-28-16-15(26-27-28)17(31)29(18(16)32)11-4-2-10(21)3-5-11/h1-7,15-16H,8H2,(H,25,30)InChIKey
IDCSWVOQDAOJGU-UHFFFAOYSA-NSynonyms
1053077-15-81053077158
C1=CC(=CC=C1N2C(=O)C3C(C2=O)N(N=N3)CC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl)F
InChI=1SC19H12ClF4N5O3c2012619(19(2223)24)713(12)2514(30)8281615(262728)17(31)29(18(16)32)114210(21)3511h171516H8H2(H2530)
MFCD14749791
N(2chloro5(trifluoromethyl)phenyl)2(5(4fluorophenyl)46dioxo3a6adihydropyrrolo(34d)triazol3yl)acetamide
N(2chloro5(trifluoromethyl)phenyl)2(5(4fluorophenyl)46dioxo4566atetrahydropyrrolo(34d)(123)triazol1(3aH)yl)acetamide
ZINC000020182753
ZINC000101388173
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