Vitas-M small molecule compound

3-amino-N-[5-oxo-1-(2,4,6-trichlorophenyl)-4,5-dihydro-1H-pyrazol-3-yl]benzamide

Catalog ID
STK085930
SMILES Nc1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)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 C16H11Cl3N4O2 MW 397.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11Cl3N4O2/c17-9-5-11(18)15(12(19)6-9)23-14(24)7-13(22-23)21-16(25)8-2-1-3-10(20)4-8/h1-6H,7,20H2,(H,21,22,25)
InChIKey
FFSCMMOUQKDVKY-UHFFFAOYSA-N
Synonyms
40567-18-8
1(246TRICHLOROPHENYL)3(3AMINOBENZOYLAMINO)5(4H)PYRAZOLONE
3(3AMINOBENZAMIDO)1(246TRICHLOROPHENYL)2PYRAZOLIN5ONE
3AMINON(45DIHYDRO5OXO1(246TRICHLOROPHENYL)1HPYRAZOL3YL)BENZAMIDE
3AMINON(5OXO1(246TRICHLOROPHENYL)45DIHYDRO1HPYRAZOL3YL)BENZAMIDE
3AMINON(5OXO1(246TRICHLOROPHENYL)4HPYRAZOL3YL)BENZAMIDE
40567188
BENZAMIDE3AMINON(45DIHYDRO5OXO1(246TRICHLOROPHENYL)1HPYRAZOL3YL)
C1C(=NN(C1=O)C2=C(C=C(C=C2Cl)Cl)Cl)NC(=O)C3=CC(=CC=C3)N
InChI=1SC16H11Cl3N4O2c179511(18)15(12(19)69)2314(24)713(2223)2116(25)821310(20)48h16H720H2(H212225)
MFCD00128803
Nc1cccc(c1)C(=O)NC1=NN(C(=O)C1)c1c(Cl)cc(cc1Cl)Cl
STK085930
ZINC000100009101
ZINC100009101

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.