Vitas-M small molecule compound

3-{[4-(2-fluorobenzyl)piperazin-1-yl]carbonyl}-1-methyl-1H-pyrazole-4-carboxylic acid

Catalog ID
STL393850
SMILES Cn1nc(c(c1)C(=O)O)C(=O)N1CCN(CC1)Cc1ccccc1F

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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 C17H19FN4O3 MW 346.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H19FN4O3/c1-20-11-13(17(24)25)15(19-20)16(23)22-8-6-21(7-9-22)10-12-4-2-3-5-14(12)18/h2-5,11H,6-10H2,1H3,(H,24,25)
InChIKey
LNTPKJJHTRZKKC-UHFFFAOYSA-N
Synonyms
1174864-95-9
1174864959
3((4(2FLUOROBENZYL)PIPERAZIN1YL)CARBONYL)1METHYL1HPYRAZOLE4CARBOXYLICACID
3(4((2fluorophenyl)methyl)piperazine1carbonyl)1methylpyrazole4carboxylicacid
CN1C=C(C(=N1)C(=O)N2CCN(CC2)CC3=CC=CC=C3F)C(=O)O
InChI=1SC17H19FN4O3c1201113(17(24)25)15(1920)16(23)228621(7922)1012423514(12)18h2511H610H21H3(H2425)
MFCD09470283
ZINC000020614891
ZINC20614891

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Available files

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