Vitas-M small molecule compound
(5-bromo-4-{(Z)-[1-(2-chlorophenyl)-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene]methyl}-2-methoxyphenoxy)acetic acid
Catalog ID
STK958833
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccccc2Cl)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 C20H16BrClN2O5 MW 479.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16BrClN2O5/c1-11-13(20(27)24(23-11)16-6-4-3-5-15(16)22)7-12-8-17(28-2)18(9-14(12)21)29-10-19(25)26/h3-9H,10H2,1-2H3,(H,25,26)/b13-7-InChIKey
WIWPXEZXJHXWQD-QPEQYQDCSA-NSynonyms
(5bromo4((Z)(1(2chlorophenyl)3methyl5oxo15dihydro4Hpyrazol4ylidene)methyl)2methoxyphenoxy)aceticacid
2(5BROMO4((Z)(1(2CHLOROPHENYL)3METHYL5OXOPYRAZOL4YLIDENE)METHYL)2METHOXYPHENOXY)ACETICACID
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OCC(=O)O)OC)C3=CC=CC=C3Cl
COc1cc(C=C2C(=NN(C2=O)c2ccccc2Cl)C)c(cc1OCC(=O)O)Br
InChI=1SC20H16BrClN2O5c11113(20(27)24(2311)16643515(16)22)712817(282)18(914(12)21)291019(25)26h39H10H212H3(H2526)b137
MFCD02605724
ZINC000015931099
ZINC15931099
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