Vitas-M small molecule compound

(4E)-4-(3,5-dichloro-4-methoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK028389
SMILES COc1c(Cl)cc(cc1Cl)/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 C18H14Cl2N2O2 MW 361.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H14Cl2N2O2/c1-11-14(8-12-9-15(19)17(24-2)16(20)10-12)18(23)22(21-11)13-6-4-3-5-7-13/h3-10H,1-2H3/b14-8+
InChIKey
DQPVXKPYJYUIAZ-RIYZIHGNSA-N
Synonyms

(4E)4((35DICHLORO4METHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(35DICHLORO4METHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Cl)OC)Cl)C3=CC=CC=C3
COc1c(Cl)cc(cc1Cl)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC18H14Cl2N2O2c11114(812915(19)17(242)16(20)1012)18(23)22(2111)136435713h310H12H3b148+
MFCD02120406
STK028389
ZINC000004602734
ZINC04602734
ZINC4602734

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Available files

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