Vitas-M small molecule compound

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

Catalog ID
STK753162
SMILES CN(c1ccc(cc1/C=N/c1c(C)n(n(c1=O)c1ccccc1)C)[N+](=O)[O-])C1CCCCC1

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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 C25H29N5O3 MW 447.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29N5O3/c1-18-24(25(31)29(28(18)3)21-12-8-5-9-13-21)26-17-19-16-22(30(32)33)14-15-23(19)27(2)20-10-6-4-7-11-20/h5,8-9,12-17,20H,4,6-7,10-11H2,1-3H3/b26-17+
InChIKey
IVDHWBWPVMSZQA-YZSQISJMSA-N
Synonyms

4(((E)(2(cyclohexyl(methyl)amino)5nitrophenyl)methylidene)amino)15dimethyl2phenyl12dihydro3Hpyrazol3one
CN(c1ccc(cc1C=Nc1c(C)n(n(c1=O)c1ccccc1)C)(N+)(=O)(O))C1CCCCC1
MFCD00469535
ZINC000004004542

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Available files

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