Vitas-M small molecule compound
(4Z)-4-[2-(hexyloxy)benzylidene]-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK699303
SMILES CCCCCCOc1ccccc1/C=C\1/C(=NN(C1=O)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 C28H28N2O2 MW 424.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O2/c1-2-3-4-13-20-32-26-19-12-11-16-23(26)21-25-27(22-14-7-5-8-15-22)29-30(28(25)31)24-17-9-6-10-18-24/h5-12,14-19,21H,2-4,13,20H2,1H3/b25-21-InChIKey
DJYSWXGGKMJQTC-DAFNUICNSA-NSynonyms
(4Z)4((2HEXOXYPHENYL)METHYLIDENE)25DIPHENYLPYRAZOL3ONE
(4Z)4(2(hexyloxy)benzylidene)25diphenyl24dihydro3Hpyrazol3one
CCCCCCOC1=CC=CC=C1C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
CCCCCCOc1ccccc1C=C1C(=NN(C1=O)c1ccccc1)c1ccccc1
InChI=1SC28H28N2O2c1234132032261912111623(26)212527(22147581522)2930(28(25)31)241796101824h512141921H241320H21H3b2521
MFCD13371086
ZINC000034839167
ZINC34839167
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