Vitas-M small molecule compound
(4E)-4-{3-bromo-4-[2-(3,5-dimethylphenoxy)ethoxy]-5-ethoxybenzylidene}-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK014512
SMILES CCOc1cc(/C=C/2\C(=NN(C2=O)c2ccccc2)C)cc(c1OCCOc1cc(C)cc(c1)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 C29H29BrN2O4 MW 549.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29BrN2O4/c1-5-34-27-18-22(16-25-21(4)31-32(29(25)33)23-9-7-6-8-10-23)17-26(30)28(27)36-12-11-35-24-14-19(2)13-20(3)15-24/h6-10,13-18H,5,11-12H2,1-4H3/b25-16+InChIKey
AWUHWLINIXVHIN-PCLIKHOPSA-NSynonyms
(4E)4((3BROMO4(2(35DIMETHYLPHENOXY)ETHOXY)5ETHOXYPHENYL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4E)4(3BROMO4(2(35DIMETHYLPHENOXY)ETHOXY)5ETHOXYBENZYLIDENE)5METHYL2PHENYL24DIHYDRO3HPYRAZOL3ONE
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCCOC4=CC(=CC(=C4)C)C
CCOc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCCOc1cc(C)cc(c1)C)Br
InChI=1SC29H29BrN2O4c1534271822(162521(4)3132(29(25)33)2397681023)1726(30)28(27)36121135241419(2)1320(3)1524h6101318H51112H214H3b2516+
MFCD05975679
STK014512
ZINC000097957927
ZINC97957927
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