Vitas-M small molecule compound
(4Z)-4-{[3-(3-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK813624
SMILES COc1ccc(cc1F)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)C)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 C27H21FN4O2 MW 452.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H21FN4O2/c1-18-23(27(33)32(29-18)22-11-7-4-8-12-22)15-20-17-31(21-9-5-3-6-10-21)30-26(20)19-13-14-25(34-2)24(28)16-19/h3-17H,1-2H3/b23-15-InChIKey
ZGXHOPPDHNAWAI-HAHDFKILSA-NSynonyms
(4Z)4((3(3fluoro4methoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
(4Z)4((3(3FLUORO4METHOXYPHENYL)1PHENYLPYRAZOL4YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
CC1=NN(C(=O)C1=CC2=CN(N=C2C3=CC(=C(C=C3)OC)F)C4=CC=CC=C4)C5=CC=CC=C5
COc1ccc(cc1F)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)C)c1ccccc1
InChI=1SC27H21FN4O2c11823(27(33)32(2918)22117481222)15201731(2195361021)3026(20)19131425(342)24(28)1619h317H12H3b2315
MFCD03506730
ZINC000016267340
ZINC16267340
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