Vitas-M small molecule compound
2-{2-bromo-6-ethoxy-4-[(Z)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-N-(4-methylphenyl)acetamide
Catalog ID
STL174084
SMILES CCOc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2)C)cc(c1OCC(=O)Nc1ccc(cc1)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 C28H26BrN3O4 MW 548.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26BrN3O4/c1-4-35-25-16-20(14-23-19(3)31-32(28(23)34)22-8-6-5-7-9-22)15-24(29)27(25)36-17-26(33)30-21-12-10-18(2)11-13-21/h5-16H,4,17H2,1-3H3,(H,30,33)/b23-14-InChIKey
CIGRUUSDDHPGLQ-UCQKPKSFSA-NSynonyms
2(2bromo6ethoxy4((Z)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)phenoxy)N(4methylphenyl)acetamide
2(2bromo6ethoxy4((Z)(3methyl5oxo1phenylpyrazol4ylidene)methyl)phenoxy)N(4methylphenyl)acetamide
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC=C3)C)Br)OCC(=O)NC4=CC=C(C=C4)C
CCOc1cc(C=C2C(=NN(C2=O)c2ccccc2)C)cc(c1OCC(=O)Nc1ccc(cc1)C)Br
InChI=1SC28H26BrN3O4c1435251620(142319(3)3132(28(23)34)228657922)1524(29)27(25)361726(33)3021121018(2)111321h516H417H213H3(H3033)b2314
MFCD02371436
ZINC000102439360
ZINC102439360
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