Vitas-M small molecule compound

(4Z)-1-(3-chlorophenyl)-4-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrazolidine-3,5-dione

Catalog ID
STK039801
SMILES COc1cc(cc(c1O)/C=C\1/C(=O)NN(C1=O)c1cccc(c1)Cl)[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 C17H12ClN3O6 MW 389.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12ClN3O6/c1-27-14-8-12(21(25)26)5-9(15(14)22)6-13-16(23)19-20(17(13)24)11-4-2-3-10(18)7-11/h2-8,22H,1H3,(H,19,23)/b13-6-
InChIKey
GYJXCSBHGVYUKK-MLPAPPSSSA-N
Synonyms

(4Z)1(3chlorophenyl)4((2hydroxy3methoxy5nitrophenyl)methylidene)pyrazolidine35dione
(4Z)1(3CHLOROPHENYL)4(2HYDROXY3METHOXY5NITROBENZYLIDENE)PYRAZOLIDINE35DIONE
COC1=C(C(=CC(=C1)(N+)(=O)(O))C=C2C(=O)NN(C2=O)C3=CC(=CC=C3)Cl)O
COc1cc(cc(c1O)C=C1C(=O)NN(C1=O)c1cccc(c1)Cl)(N+)(=O)(O)
InChI=1SC17H12ClN3O6c12714812(21(25)26)59(15(14)22)61316(23)1920(17(13)24)1142310(18)711h2822H1H3(H1923)b136
MFCD03307301
STK039801
ZINC5879699

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Available files

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