Vitas-M small molecule compound
(4Z)-4-[3-ethoxy-4-(3-phenoxypropoxy)benzylidene]-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK001053
SMILES CCOc1cc(ccc1OCCCOc1ccccc1)/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 C28H28N2O4 MW 456.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N2O4/c1-3-32-27-20-22(15-16-26(27)34-18-10-17-33-24-13-8-5-9-14-24)19-25-21(2)29-30(28(25)31)23-11-6-4-7-12-23/h4-9,11-16,19-20H,3,10,17-18H2,1-2H3/b25-19-InChIKey
RURBNILAGNDEPV-PLRJNAJWSA-NSynonyms
(4Z)4((3ethoxy4(3phenoxypropoxy)phenyl)methylidene)5methyl2phenylpyrazol3one
(4Z)4(3ETHOXY4(3PHENOXYPROPOXY)BENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)OCCCOC4=CC=CC=C4
CCOc1cc(ccc1OCCCOc1ccccc1)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC28H28N2O4c1332272022(151626(27)341810173324138591424)192521(2)2930(28(25)31)23116471223h4911161920H3101718H212H3b2519
MFCD03183879
STK001053
ZINC000012285077
ZINC12285077
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