Vitas-M small molecule compound
3-{(4Z)-4-[3-bromo-5-ethoxy-4-(2-{[4-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STL171803
SMILES CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OCC)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)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 C31H28BrN3O8 MW 650.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28BrN3O8/c1-4-41-26-15-19(13-24-18(3)34-35(29(24)37)23-8-6-7-21(16-23)30(38)39)14-25(32)28(26)43-17-27(36)33-22-11-9-20(10-12-22)31(40)42-5-2/h6-16H,4-5,17H2,1-3H3,(H,33,36)(H,38,39)/b24-13-InChIKey
WUWLKNATIJYKRK-CFRMEGHHSA-NSynonyms
834909-89-63((4Z)4((3bromo5ethoxy4(2(4ethoxycarbonylanilino)2oxoethoxy)phenyl)methylidene)3methyl5oxopyrazol1yl)benzoicacid
3((4Z)4(3bromo5ethoxy4(2((4(ethoxycarbonyl)phenyl)amino)2oxoethoxy)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
834909896
CCOC(=O)c1ccc(cc1)NC(=O)COc1c(Br)cc(cc1OCC)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
CCOC1=C(C(=CC(=C1)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)Br)OCC(=O)NC4=CC=C(C=C4)C(=O)OCC
InChI=1SC31H28BrN3O8c1441261519(132418(3)3435(29(24)37)2386721(1623)30(38)39)1425(32)28(26)431727(36)332211920(101222)31(40)4252h616H4517H213H3(H3336)(H3839)b2413
MFCD01921563
ZINC000150391849
ZINC150391849
Check stock
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Check stock on Vitas-MAvailable files
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