Vitas-M small molecule compound
5-[(4Z)-4-(2-bromo-4,5-dimethoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]-2-chlorobenzoic acid
Catalog ID
STK675446
SMILES COc1cc(Br)c(cc1OC)/C=C\1/C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
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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/c1-10-13(6-11-7-17(28-2)18(29-3)9-15(11)21)19(25)24(23-10)12-4-5-16(22)14(8-12)20(26)27/h4-9H,1-3H3,(H,26,27)/b13-6-InChIKey
HQELASUKFYEFGP-MLPAPPSSSA-NSynonyms
5((4Z)4((2BROMO45DIMETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)2CHLOROBENZOICACID
5((4Z)4(2bromo45dimethoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)2chlorobenzoicacid
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2Br)OC)OC)C3=CC(=C(C=C3)Cl)C(=O)O
COc1cc(Br)c(cc1OC)C=C1C(=NN(C1=O)c1ccc(c(c1)C(=O)O)Cl)C
InChI=1SC20H16BrClN2O5c11013(611717(282)18(293)915(11)21)19(25)24(2310)124516(22)14(812)20(26)27h49H13H3(H2627)b136
MFCD01158542
ZINC000012412828
ZINC12412828
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