Vitas-M small molecule compound
{(5E)-5-[4-(2-{[4-chloro-3-(ethoxycarbonyl)phenyl]amino}-2-oxoethoxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STK336462
SMILES CCOC(=O)c1cc(ccc1Cl)NC(=O)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 C23H19ClN2O7S2 MW 535.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19ClN2O7S2/c1-2-32-22(31)16-10-14(5-8-17(16)24)25-19(27)12-33-15-6-3-13(4-7-15)9-18-21(30)26(11-20(28)29)23(34)35-18/h3-10H,2,11-12H2,1H3,(H,25,27)(H,28,29)/b18-9+InChIKey
HPCBYYDJBUQPHB-GIJQJNRQSA-NSynonyms
((5E)5(4(2((4chloro3(ethoxycarbonyl)phenyl)amino)2oxoethoxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((4(2(4chloro3ethoxycarbonylanilino)2oxoethoxy)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CCOC(=O)C1=C(C=CC(=C1)NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CC(=O)O)Cl
CCOC(=O)c1cc(ccc1Cl)NC(=O)COc1ccc(cc1)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC23H19ClN2O7S2c123222(31)161014(5817(16)24)2519(27)1233156313(4715)91821(30)26(1120(28)29)23(34)3518h310H21112H21H3(H2527)(H2829)b189+
MFCD09964667
ZINC000097962708
ZINC97962708
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