Vitas-M small molecule compound
[(5E)-5-(4-{2-[(4-bromo-2-chlorophenyl)amino]-2-oxoethoxy}benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK336453
SMILES O=C(Nc1ccc(cc1Cl)Br)COc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CC(=O)O
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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 C20H14BrClN2O5S2 MW 541.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14BrClN2O5S2/c21-12-3-6-15(14(22)8-12)23-17(25)10-29-13-4-1-11(2-5-13)7-16-19(28)24(9-18(26)27)20(30)31-16/h1-8H,9-10H2,(H,23,25)(H,26,27)/b16-7+InChIKey
XQKQOIABTHGZKY-FRKPEAEDSA-NSynonyms
((5E)5(4(2((4bromo2chlorophenyl)amino)2oxoethoxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((4(2(4bromo2chloroanilino)2oxoethoxy)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)OCC(=O)NC3=C(C=C(C=C3)Br)Cl
InChI=1SC20H14BrClN2O5S2c21123615(14(22)812)2317(25)1029134111(2513)71619(28)24(918(26)27)20(30)3116h18H910H2(H2325)(H2627)b167+
MFCD07138565
O=C(Nc1ccc(cc1Cl)Br)COc1ccc(cc1)C=C1SC(=S)N(C1=O)CC(=O)O
ZINC000097962706
ZINC97962706
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