Vitas-M small molecule compound
(5-bromo-4-{(Z)-[1-(3,4-dichlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK958720
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(c(c2)Cl)Cl)C)c(cc1OCC(=O)O)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 C20H15BrCl2N2O5 MW 514.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15BrCl2N2O5/c1-10-13(20(28)25(24-10)12-3-4-15(22)16(23)7-12)5-11-6-17(29-2)18(8-14(11)21)30-9-19(26)27/h3-8H,9H2,1-2H3,(H,26,27)/b13-5-InChIKey
BRCSPOXLQVDZCJ-ACAGNQJTSA-NSynonyms
765294-04-0(5bromo4((Z)(1(34dichlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenoxy)aceticacid
2(5bromo4((Z)(1(34dichlorophenyl)3methyl5oxopyrazol4ylidene)methyl)2methoxyphenoxy)aceticacid
765294040
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OCC(=O)O)OC)C3=CC(=C(C=C3)Cl)Cl
COc1cc(C=C2C(=NN(C2=O)c2ccc(c(c2)Cl)Cl)C)c(cc1OCC(=O)O)Br
InChI=1SC20H15BrCl2N2O5c11013(20(28)25(2410)123415(22)16(23)712)511617(292)18(814(11)21)30919(26)27h38H9H212H3(H2627)b135
MFCD02371477
ZINC000013914706
ZINC13914706
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