Vitas-M small molecule compound
(4E)-2-(4-iodophenyl)-4-(4-methoxybenzylidene)-5-methyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL380128
SMILES COc1ccc(cc1)/C=C/1\C(=NN(C1=O)c1ccc(cc1)I)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 C18H15IN2O2 MW 418.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15IN2O2/c1-12-17(11-13-3-9-16(23-2)10-4-13)18(22)21(20-12)15-7-5-14(19)6-8-15/h3-11H,1-2H3/b17-11+InChIKey
VWXPJFMDBSTNBX-GZTJUZNOSA-NSynonyms
(4E)2(4IODOPHENYL)4((4METHOXYPHENYL)METHYLIDENE)5METHYLPYRAZOL3ONE
(4E)2(4iodophenyl)4(4methoxybenzylidene)5methyl24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)OC)C3=CC=C(C=C3)I
COc1ccc(cc1)C=C1C(=NN(C1=O)c1ccc(cc1)I)C
InChI=1SC18H15IN2O2c11217(11133916(232)10413)18(22)21(2012)157514(19)6815h311H12H3b1711+
MFCD02906891
ZINC000100869008
ZINC100869008
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