Vitas-M small molecule compound

(4E)-4-{3-chloro-4-[2-(2,5-dimethylphenoxy)ethoxy]-5-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK093528
SMILES COc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCCOc1cc(C)ccc1C)Cl

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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 C28H27ClN2O4 MW 490.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27ClN2O4/c1-18-10-11-19(2)25(14-18)34-12-13-35-27-24(29)16-21(17-26(27)33-4)15-23-20(3)30-31(28(23)32)22-8-6-5-7-9-22/h5-11,14-17H,12-13H2,1-4H3/b23-15+
InChIKey
GJONKRFQEBYMTC-HZHRSRAPSA-N
Synonyms

(4E)4((3CHLORO4(2(25DIMETHYLPHENOXY)ETHOXY)5METHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3CHLORO4(2(25DIMETHYLPHENOXY)ETHOXY)5METHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CC1=CC(=C(C=C1)C)OCCOC2=C(C=C(C=C2Cl)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)OC
COc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCCOc1cc(C)ccc1C)Cl
InChI=1SC28H27ClN2O4c118101119(2)25(1418)341213352724(29)1621(1726(27)334)152320(3)3031(28(23)32)228657922h5111417H1213H214H3b2315+
MFCD05975673
STK093528
ZINC000009730541
ZINC09730541
ZINC9730541

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Available files

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