Vitas-M small molecule compound
[(5E)-5-{3-bromo-5-methoxy-4-[(thiophen-2-ylcarbonyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK394163
SMILES COc1cc(/C=C\2/SC(=S)N(C2=O)CC(=O)O)cc(c1OC(=O)c1cccs1)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 C18H12BrNO6S3 MW 514.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12BrNO6S3/c1-25-11-6-9(7-13-16(23)20(8-14(21)22)18(27)29-13)5-10(19)15(11)26-17(24)12-3-2-4-28-12/h2-7H,8H2,1H3,(H,21,22)/b13-7+InChIKey
CHLXZUXMNQOVCH-NTUHNPAUSA-NSynonyms
((5E)5(3bromo5methoxy4((thiophen2ylcarbonyl)oxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((3bromo5methoxy4(thiophene2carbonyloxy)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
2(5((3BROMO5METHOXY4(2THIENYLCARBONYLOXY)PHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)Br)OC(=O)C3=CC=CS3
COc1cc(C=C2SC(=S)N(C2=O)CC(=O)O)cc(c1OC(=O)c1cccs1)Br
InChI=1SC18H12BrNO6S3c1251169(71316(23)20(814(21)22)18(27)2913)510(19)15(11)2617(24)123242812h27H8H21H3(H2122)b137+
MFCD03835070
ZINC000097964134
ZINC97964134
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