Vitas-M small molecule compound
(4Z)-4-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]-2,5-diphenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK133502
SMILES COc1cc(cc(c1OCc1ccccc1)Br)/C=C/1\C(=O)N(N=C1c1ccccc1)c1ccccc1
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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 C30H23BrN2O3 MW 539.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23BrN2O3/c1-35-27-19-22(18-26(31)29(27)36-20-21-11-5-2-6-12-21)17-25-28(23-13-7-3-8-14-23)32-33(30(25)34)24-15-9-4-10-16-24/h2-19H,20H2,1H3/b25-17-InChIKey
ORQWGUMMACSLRQ-UQQQWYQISA-NSynonyms
(4Z)4((3BROMO5METHOXY4PHENYLMETHOXYPHENYL)METHYLIDENE)25DIPHENYLPYRAZOL3ONE
(4Z)4(4(BENZYLOXY)3BROMO5METHOXYBENZYLIDENE)25DIPHENYL24DIHYDRO3HPYRAZOL3ONE
COC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C4=CC=CC=C4)Br)OCC5=CC=CC=C5
COc1cc(cc(c1OCc1ccccc1)Br)C=C1C(=O)N(N=C1c1ccccc1)c1ccccc1
InChI=1SC30H23BrN2O3c135271922(1826(31)29(27)362021115261221)172528(23137381423)3233(30(25)34)241594101624h219H20H21H3b2517
MFCD06662686
ZINC000097960189
ZINC97960189
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