Vitas-M small molecule compound
{(2E)-2-[(2E)-(3-bromo-5-ethoxy-4-{[(4-methylphenyl)sulfonyl]oxy}benzylidene)hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
Catalog ID
STK014127
SMILES CCOc1cc(/C=N/N=C\2/SC(C(=O)N2)CC(=O)O)cc(c1OS(=O)(=O)c1ccc(cc1)C)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 C21H20BrN3O7S2 MW 570.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20BrN3O7S2/c1-3-31-16-9-13(11-23-25-21-24-20(28)17(33-21)10-18(26)27)8-15(22)19(16)32-34(29,30)14-6-4-12(2)5-7-14/h4-9,11,17H,3,10H2,1-2H3,(H,26,27)(H,24,25,28)/b23-11+InChIKey
CUSGXWDNCMFDIO-FOKLQQMPSA-NSynonyms
((2E)2((2E)(3BROMO5ETHOXY4(((4METHYLPHENYL)SULFONYL)OXY)BENZYLIDENE)HYDRAZINYLIDENE)4OXO13THIAZOLIDIN5YL)ACETICACID
2(2((2E)2((3bromo5ethoxy4(4methylphenyl)sulfonyloxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)aceticacid
CCOC1=C(C(=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)Br)OS(=O)(=O)C3=CC=C(C=C3)C
CCOc1cc(C=NN=C2SC(C(=O)N2)CC(=O)O)cc(c1OS(=O)(=O)c1ccc(cc1)C)Br
InChI=1SC21H20BrN3O7S2c133116913(112325212420(28)17(3321)1018(26)27)815(22)19(16)3234(2930)146412(2)5714h491117H310H212H3(H2627)(H242528)b2311+
MFCD08049529
STK014127
ZINC000097957921
ZINC000097957922
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