Vitas-M small molecule compound
(4E)-4-(4-bromobenzylidene)-5-methyl-2-(2-methylphenyl)-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK329968
SMILES Brc1ccc(cc1)/C=C/1\C(=NN(C1=O)c1ccccc1C)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 C18H15BrN2O MW 355.23 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15BrN2O/c1-12-5-3-4-6-17(12)21-18(22)16(13(2)20-21)11-14-7-9-15(19)10-8-14/h3-11H,1-2H3/b16-11+InChIKey
JMRRDTZQUFRJIF-LFIBNONCSA-NSynonyms
(4E)4((4bromophenyl)methylidene)5methyl2(2methylphenyl)pyrazol3one
(4E)4(4bromobenzylidene)5methyl2(2methylphenyl)24dihydro3Hpyrazol3one
Brc1ccc(cc1)C=C1C(=NN(C1=O)c1ccccc1C)C
CC1=CC=CC=C1N2C(=O)C(=CC3=CC=C(C=C3)Br)C(=N2)C
InChI=1SC18H15BrN2Oc112534617(12)2118(22)16(13(2)2021)11147915(19)10814h311H12H3b1611+
MFCD09962128
ZINC000018192740
ZINC18192740
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