Vitas-M small molecule compound

4-[(4-fluorobenzyl)amino]-1-methyl-1H-pyrazole-3-carboxylic acid

Catalog ID
STL414551
SMILES Fc1ccc(cc1)CNc1cn(nc1C(=O)O)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 C12H12FN3O2 MW 249.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12FN3O2/c1-16-7-10(11(15-16)12(17)18)14-6-8-2-4-9(13)5-3-8/h2-5,7,14H,6H2,1H3,(H,17,18)
InChIKey
KIXNIUAETWSGQI-UHFFFAOYSA-N
Synonyms
1006448-78-7
1006448787
4(((4FLUOROPHENYL)METHYL)AMINO)1METHYLPYRAZOLE3CARBOXYLICACID
4((4fluorobenzyl)amino)1methyl1Hpyrazole3carboxylicacid
4((4fluorophenyl)methylamino)1methylpyrazole3carboxylicacid
CN1C=C(C(=N1)C(=O)O)NCC2=CC=C(C=C2)F
InChI=1SC12H12FN3O2c116710(11(1516)12(17)18)1468249(13)538h25714H6H21H3(H1718)
MFCD08697164
ZINC000020354082
ZINC20354082

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Available files

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