Vitas-M small molecule compound
methyl {5-bromo-2-methoxy-4-[(E)-(5-oxo-1-phenyl-3-propyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}acetate
Catalog ID
STL378759
SMILES CCCC1=NN(C(=O)/C/1=C/c1cc(OC)c(cc1Br)OCC(=O)OC)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 C23H23BrN2O5 MW 487.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23BrN2O5/c1-4-8-19-17(23(28)26(25-19)16-9-6-5-7-10-16)11-15-12-20(29-2)21(13-18(15)24)31-14-22(27)30-3/h5-7,9-13H,4,8,14H2,1-3H3/b17-11+InChIKey
CWOWRWIGMXVAIZ-GZTJUZNOSA-NSynonyms
CCCC1=NN(C(=O)C1=Cc1cc(OC)c(cc1Br)OCC(=O)OC)c1ccccc1
CCCC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OCC(=O)OC)OC)C3=CC=CC=C3
InChI=1SC23H23BrN2O5c1481917(23(28)26(2519)1696571016)11151220(292)21(1318(15)24)311422(27)303h57913H4814H213H3b1711+
methyl(5bromo2methoxy4((E)(5oxo1phenyl3propyl15dihydro4Hpyrazol4ylidene)methyl)phenoxy)acetate
METHYL2(5BROMO2METHOXY4((E)(5OXO1PHENYL3PROPYLPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETATE
MFCD05041320
ZINC000100319452
ZINC100319452
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