Vitas-M small molecule compound
(4E)-4-[(2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-(4-iodophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL381989
SMILES Ic1ccc(cc1)N1N=C(/C(=C\C=C\c2ccco2)/C1=O)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 C17H13IN2O2 MW 404.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13IN2O2/c1-12-16(6-2-4-15-5-3-11-22-15)17(21)20(19-12)14-9-7-13(18)8-10-14/h2-11H,1H3/b4-2+,16-6+InChIKey
YFXYARLFQWEJRM-NKJMRRHMSA-NSynonyms
(4E)4((2E)3(furan2yl)prop2en1ylidene)2(4iodophenyl)5methyl24dihydro3Hpyrazol3one
(4E)4((E)3(FURAN2YL)PROP2ENYLIDENE)2(4IODOPHENYL)5METHYLPYRAZOL3ONE
CC1=NN(C(=O)C1=CC=CC2=CC=CO2)C3=CC=C(C=C3)I
Ic1ccc(cc1)N1N=C(C(=CC=Cc2ccco2)C1=O)C
InChI=1SC17H13IN2O2c11216(6241553112215)17(21)20(1912)149713(18)81014h211H1H3b42+166+
MFCD03306694
ZINC000101726782
ZINC101726782
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