Vitas-M small molecule compound
(5E)-5-[3-chloro-5-methoxy-4-(2-methyl-3-phenoxypropoxy)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK088531
SMILES COc1cc(/C=C\2/SC(=S)NC2=O)cc(c1OCC(COc1ccccc1)C)Cl
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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 C21H20ClNO4S2 MW 449.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClNO4S2/c1-13(11-26-15-6-4-3-5-7-15)12-27-19-16(22)8-14(9-17(19)25-2)10-18-20(24)23-21(28)29-18/h3-10,13H,11-12H2,1-2H3,(H,23,24,28)/b18-10+InChIKey
SKPPWZMHSUYYSZ-VCHYOVAHSA-NSynonyms
(5E)5((3CHLORO5METHOXY4(2METHYL3PHENOXYPROPOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3CHLORO5METHOXY4(2METHYL3PHENOXYPROPOXY)BENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC(COC1=CC=CC=C1)COC2=C(C=C(C=C2Cl)C=C3C(=O)NC(=S)S3)OC
COc1cc(C=C2SC(=S)NC2=O)cc(c1OCC(COc1ccccc1)C)Cl
InChI=1SC21H20ClNO4S2c113(1126156435715)12271916(22)814(917(19)252)101820(24)2321(28)2918h31013H1112H212H3(H232428)b1810+
MFCD02923319
STK088531
ZINC000002856385
ZINC000013894287
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