Vitas-M small molecule compound

4-{[(E)-(4,5-dimethoxy-2-nitrophenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro-3H-pyrazol-3-one

Catalog ID
STK751808
SMILES COc1cc(/C=N/c2c(C)n(n(c2=O)c2ccccc2)C)c(cc1OC)[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 C20H20N4O5 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O5/c1-13-19(20(25)23(22(13)2)15-8-6-5-7-9-15)21-12-14-10-17(28-3)18(29-4)11-16(14)24(26)27/h5-12H,1-4H3/b21-12+
InChIKey
IDSNFEJEJBIIPH-CIAFOILYSA-N
Synonyms

4(((E)(45dimethoxy2nitrophenyl)methylidene)amino)15dimethyl2phenyl12dihydro3Hpyrazol3one
COc1cc(C=Nc2c(C)n(n(c2=O)c2ccccc2)C)c(cc1OC)(N+)(=O)(O)
MFCD00747698
ZINC000000831541

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Available files

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