Vitas-M small molecule compound
(4Z)-5-(4-methoxyphenyl)-4-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK823143
SMILES CCCOc1ccc(cc1C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)c1ccc(cc1)OC)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 C36H32N4O3 MW 568.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H32N4O3/c1-4-21-43-33-20-17-27(22-25(33)2)34-28(24-39(37-34)29-11-7-5-8-12-29)23-32-35(26-15-18-31(42-3)19-16-26)38-40(36(32)41)30-13-9-6-10-14-30/h5-20,22-24H,4,21H2,1-3H3/b32-23-InChIKey
KYPARTMWIQWAEE-SJIPCVTESA-NSynonyms
(4Z)5(4methoxyphenyl)4((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)2phenyl24dihydro3Hpyrazol3one
(4Z)5(4methoxyphenyl)4((3(3methyl4propoxyphenyl)1phenylpyrazol4yl)methylidene)2phenylpyrazol3one
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=C(C=C5)OC)C6=CC=CC=C6)C
CCCOc1ccc(cc1C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)c1ccc(cc1)OC)c1ccccc1
InChI=1SC36H32N4O3c14214333201727(2225(33)2)3428(2439(3734)29117581229)233235(26151831(423)191626)3840(36(32)41)301396101430h5202224H421H213H3b3223
MFCD03463685
ZINC000097947144
ZINC97947144
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