Vitas-M small molecule compound

(4Z)-4-{4-[(4-fluorobenzyl)oxy]-3-methoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one

Catalog ID
STK168107
SMILES COc1cc(ccc1OCc1ccc(cc1)F)/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 C25H21FN2O3 MW 416.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21FN2O3/c1-17-22(25(29)28(27-17)21-6-4-3-5-7-21)14-19-10-13-23(24(15-19)30-2)31-16-18-8-11-20(26)12-9-18/h3-15H,16H2,1-2H3/b22-14-
InChIKey
UMGIUYWHPCECDW-HMAPJEAMSA-N
Synonyms

(4Z)4((4((4FLUOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4(4((4FLUOROBENZYL)OXY)3METHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
(Z)4(4((4fluorobenzyl)oxy)3methoxybenzylidene)3methyl1phenyl1Hpyrazol5(4H)one
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC3=CC=C(C=C3)F)OC)C4=CC=CC=C4
COc1cc(ccc1OCc1ccc(cc1)F)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC25H21FN2O3c11722(25(29)28(2717)216435721)1419101323(24(1519)302)31161881120(26)12918h315H16H212H3b2214
MFCD01784853
ZINC000013801576
ZINC13801576

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Available files

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