Vitas-M small molecule compound
(4-bromo-2-{(E)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}phenoxy)acetic acid
Catalog ID
STK957934
SMILES OC(=O)COc1ccc(cc1/C=C/1\C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)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 C19H13BrCl2N2O4 MW 484.13 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrCl2N2O4/c1-10-14(7-11-6-12(20)2-5-17(11)28-9-18(25)26)19(27)24(23-10)13-3-4-15(21)16(22)8-13/h2-8H,9H2,1H3,(H,25,26)/b14-7+InChIKey
QKNOXQBHHBFRFU-VGOFMYFVSA-NSynonyms
(4bromo2((E)(1(34dichlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)phenoxy)aceticacid
2(4BROMO2((E)(1(34DICHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)PHENOXY)ACETICACID
CC1=NN(C(=O)C1=CC2=C(C=CC(=C2)Br)OCC(=O)O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC19H13BrCl2N2O4c11014(711612(20)2517(11)28918(25)26)19(27)24(2310)133415(21)16(22)813h28H9H21H3(H2526)b147+
MFCD01648015
OC(=O)COc1ccc(cc1C=C1C(=NN(C1=O)c1ccc(c(c1)Cl)Cl)C)Br
ZINC000100147721
ZINC100147721
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