Vitas-M small molecule compound
(4Z)-4-[3-ethoxy-4-(prop-2-yn-1-yloxy)benzylidene]-5-methyl-2-(4-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK394256
SMILES CCOc1cc(ccc1OCC#C)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C)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 C23H22N2O3 MW 374.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O3/c1-5-13-28-21-12-9-18(15-22(21)27-6-2)14-20-17(4)24-25(23(20)26)19-10-7-16(3)8-11-19/h1,7-12,14-15H,6,13H2,2-4H3/b20-14-InChIKey
LXBQPJSGDMFAHA-ZHZULCJRSA-NSynonyms
(4Z)4((3ethoxy4prop2ynoxyphenyl)methylidene)5methyl2(4methylphenyl)pyrazol3one
(4Z)4(3ethoxy4(prop2yn1yloxy)benzylidene)5methyl2(4methylphenyl)24dihydro3Hpyrazol3one
4((3ETHOXY4PROP2YNYLOXYPHENYL)METHYLENE)3METHYL1(4METHYLPHENYL)12DIAZOLIN5ONE
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C)C)OCC#C
CCOc1cc(ccc1OCC#C)C=C1C(=NN(C1=O)c1ccc(cc1)C)C
InChI=1SC23H22N2O3c1513282112918(1522(21)2762)142017(4)2425(23(20)26)1910716(3)81119h17121415H613H224H3b2014
MFCD11853531
ZINC000023410867
ZINC23410867
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