Vitas-M small molecule compound
(4E)-4-(5-bromo-2-propoxybenzylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL484694
SMILES CCCOc1ccc(cc1/C=C/1\C(=NN(C1=O)c1ccccc1)C)Br
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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 C20H19BrN2O2 MW 399.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrN2O2/c1-3-11-25-19-10-9-16(21)12-15(19)13-18-14(2)22-23(20(18)24)17-7-5-4-6-8-17/h4-10,12-13H,3,11H2,1-2H3/b18-13+InChIKey
LJMQCJOFCQPQTD-QGOAFFKASA-NSynonyms
(4E)4((5BROMO2PROPOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(5bromo2propoxybenzylidene)5methyl2phenyl24dihydro3Hpyrazol3one
CCCOC1=C(C=C(C=C1)Br)C=C2C(=NN(C2=O)C3=CC=CC=C3)C
CCCOc1ccc(cc1C=C1C(=NN(C1=O)c1ccccc1)C)Br
InChI=1SC20H19BrN2O2c1311251910916(21)1215(19)131814(2)2223(20(18)24)177546817h4101213H311H212H3b1813+
MFCD03706168
ZINC000004819511
ZINC04819511
ZINC4819511
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