Vitas-M small molecule compound
ethyl (4-bromo-2-{(E)-[1-(3-chlorophenyl)-3,5-dioxopyrazolidin-4-ylidene]methyl}phenoxy)acetate
Catalog ID
STL432308
SMILES CCOC(=O)COc1ccc(cc1/C=C/1\C(=O)NN(C1=O)c1cccc(c1)Cl)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 C20H16BrClN2O5 MW 479.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O5/c1-2-28-18(25)11-29-17-7-6-13(21)8-12(17)9-16-19(26)23-24(20(16)27)15-5-3-4-14(22)10-15/h3-10H,2,11H2,1H3,(H,23,26)/b16-9+InChIKey
DIUPGRBVFQAROY-CXUHLZMHSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1)Br)C=C2C(=O)NN(C2=O)C3=CC(=CC=C3)Cl
CCOC(=O)COc1ccc(cc1C=C1C(=O)NN(C1=O)c1cccc(c1)Cl)Br
ethyl(4bromo2((E)(1(3chlorophenyl)35dioxopyrazolidin4ylidene)methyl)phenoxy)acetate
ETHYL2(4BROMO2((E)(1(3CHLOROPHENYL)35DIOXOPYRAZOLIDIN4YLIDENE)METHYL)PHENOXY)ACETATE
InChI=1SC20H16BrClN2O5c122818(25)1129177613(21)812(17)91619(26)2324(20(16)27)1553414(22)1015h310H211H21H3(H2326)b169+
MFCD01243416
ZINC000028632273
ZINC28632273
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