Vitas-M small molecule compound

(4Z)-5-hydroxy-4-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-(4-iodophenyl)-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STL508967
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)I)O)cc(c1O)[N+](=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 C17H12IN3O6 MW 481.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12IN3O6/c1-27-14-8-9(7-13(15(14)22)21(25)26)6-12-16(23)19-20(17(12)24)11-4-2-10(18)3-5-11/h2-8,22H,1H3,(H,19,23)/b12-6-
InChIKey
LBRIGZZUTRZKDL-SDQBBNPISA-N
Synonyms

(4~(Z))4((4hydroxy3methoxy5nitrophenyl)methylidene)1(4iodophenyl)pyrazolidine35dione
(4Z)5hydroxy4(4hydroxy3methoxy5nitrobenzylidene)2(4iodophenyl)24dihydro3Hpyrazol3one
21231157
MFCD31657617

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Available files

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