Vitas-M small molecule compound
methyl 4-{(4Z)-4-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoate
Catalog ID
STL431995
SMILES C#CCOc1ccc(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(cc1)C(=O)OC)C
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H20N2O5 MW 404.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N2O5/c1-5-12-30-20-11-6-16(14-21(20)28-3)13-19-15(2)24-25(22(19)26)18-9-7-17(8-10-18)23(27)29-4/h1,6-11,13-14H,12H2,2-4H3/b19-13-InChIKey
VJWSXNFSTNOWOI-UYRXBGFRSA-NSynonyms
C#CCOc1ccc(cc1OC)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)OC)C
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC#C)OC)C3=CC=C(C=C3)C(=O)OC
InChI=1SC23H20N2O5c1512302011616(1421(20)283)131915(2)2425(22(19)26)189717(81018)23(27)294h16111314H12H224H3b1913
METHYL4((4Z)4((3METHOXY4PROP2YNOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOATE
methyl4((4Z)4(3methoxy4(prop2yn1yloxy)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoate
MFCD03307263
ZINC000017150119
ZINC17150119
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