Vitas-M small molecule compound
(4Z)-4-{[3-(3-methyl-4-propoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK823138
SMILES CCCOc1ccc(cc1C)c1nn(cc1/C=C\1/C(=NN(C1=O)c1ccccc1)c1ccccc1)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 C35H30N4O2 MW 538.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H30N4O2/c1-3-21-41-32-20-19-27(22-25(32)2)33-28(24-38(36-33)29-15-9-5-10-16-29)23-31-34(26-13-7-4-8-14-26)37-39(35(31)40)30-17-11-6-12-18-30/h4-20,22-24H,3,21H2,1-2H3/b31-23-InChIKey
JFNCABJNJZPOKX-SXBRIOAWSA-NSynonyms
(4Z)4((3(3methyl4propoxyphenyl)1phenyl1Hpyrazol4yl)methylidene)25diphenyl24dihydro3Hpyrazol3one
(4Z)4((3(3methyl4propoxyphenyl)1phenylpyrazol4yl)methylidene)25diphenylpyrazol3one
CCCOC1=C(C=C(C=C1)C2=NN(C=C2C=C3C(=NN(C3=O)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C
CCCOc1ccc(cc1C)c1nn(cc1C=C1C(=NN(C1=O)c1ccccc1)c1ccccc1)c1ccccc1
InChI=1SC35H30N4O2c13214132201927(2225(32)2)3328(2438(3633)291595101629)233134(26137481426)3739(35(31)40)3017116121830h4202224H321H212H3b3123
MFCD03463681
ZINC000097947143
ZINC97947143
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