Vitas-M small molecule compound

2-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenyl 4-methoxybenzoate

Catalog ID
STL420164
SMILES COc1ccc(cc1)C(=O)Oc1ccccc1/C=C/1\C(=NN(C1=O)c1ccccc1)C

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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 C25H20N2O4 MW 412.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H20N2O4/c1-17-22(24(28)27(26-17)20-9-4-3-5-10-20)16-19-8-6-7-11-23(19)31-25(29)18-12-14-21(30-2)15-13-18/h3-16H,1-2H3/b22-16+
InChIKey
YSNRFCCFAXHGBJ-CJLVFECKSA-N
Synonyms

(2((E)(3methyl5oxo1phenylpyrazol4ylidene)methyl)phenyl)4methoxybenzoate
2((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)phenyl4methoxybenzoate
CC1=NN(C(=O)C1=CC2=CC=CC=C2OC(=O)C3=CC=C(C=C3)OC)C4=CC=CC=C4
COc1ccc(cc1)C(=O)Oc1ccccc1C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC25H20N2O4c11722(24(28)27(2617)2094351020)16198671123(19)3125(29)18121421(302)151318h316H12H3b2216+
MFCD02642021
ZINC000005205396
ZINC5205396

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Available files

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