Vitas-M small molecule compound

4-[5-amino-4-(3-chlorophenyl)-1H-pyrazol-1-yl]benzoic acid

Catalog ID
STK519630
SMILES Clc1cccc(c1)c1cnn(c1N)c1ccc(cc1)C(=O)O

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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 C16H12ClN3O2 MW 313.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O2/c17-12-3-1-2-11(8-12)14-9-19-20(15(14)18)13-6-4-10(5-7-13)16(21)22/h1-9H,18H2,(H,21,22)
InChIKey
NWNMSZOJIFFZNT-UHFFFAOYSA-N
Synonyms
944791-75-7
4(5amino4(3chlorophenyl)1Hpyrazol1yl)benzoicacid
4(5AMINO4(3CHLOROPHENYL)PYRAZOL1YL)BENZOICACID
4(5AMINO4(3CHLOROPHENYL)PYRAZOLYL)BENZOICACID
944791757
C1=CC(=CC(=C1)Cl)C2=C(N(N=C2)C3=CC=C(C=C3)C(=O)O)N
InChI=1SC16H12ClN3O2c171231211(812)1491920(15(14)18)136410(5713)16(21)22h19H18H2(H2122)
MFCD06740130
ZINC000004290733
ZINC4290733

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Available files

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