Vitas-M small molecule compound

3-(5-{(Z)-[1-(3-chlorophenyl)-3-hydroxy-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}furan-2-yl)benzoic acid

Catalog ID
STL509111
SMILES Clc1cccc(c1)N1N=C(/C(=C/c2ccc(o2)c2cccc(c2)C(=O)O)/C1=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 C21H13ClN2O5 MW 408.80 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H13ClN2O5/c22-14-5-2-6-15(10-14)24-20(26)17(19(25)23-24)11-16-7-8-18(29-16)12-3-1-4-13(9-12)21(27)28/h1-11H,(H,23,25)(H,27,28)/b17-11-
InChIKey
TZBRWOWKBPIABI-BOPFTXTBSA-N
Synonyms

1285927
3(5((~(Z))(1(3chlorophenyl)35dioxopyrazolidin4ylidene)methyl)furan2yl)benzoicacid
3(5((Z)(1(3chlorophenyl)3hydroxy5oxo15dihydro4Hpyrazol4ylidene)methyl)furan2yl)benzoicacid
MFCD31657775

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Available files

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