Vitas-M small molecule compound
{(5Z)-5-[3-ethoxy-4-(2-{[3-(methylsulfanyl)phenyl]amino}-2-oxoethoxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STL428678
SMILES CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)SC)/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 C23H22N2O6S3 MW 518.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O6S3/c1-3-30-18-9-14(10-19-22(29)25(12-21(27)28)23(32)34-19)7-8-17(18)31-13-20(26)24-15-5-4-6-16(11-15)33-2/h4-11H,3,12-13H2,1-2H3,(H,24,26)(H,27,28)/b19-10-InChIKey
MQZABCREJJWVEH-GRSHGNNSSA-NSynonyms
((5Z)5(3ethoxy4(2((3(methylsulfanyl)phenyl)amino)2oxoethoxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3ethoxy4(2(3methylsulfanylanilino)2oxoethoxy)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OCC(=O)NC3=CC(=CC=C3)SC
CCOc1cc(ccc1OCC(=O)Nc1cccc(c1)SC)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC23H22N2O6S3c133018914(101922(29)25(1221(27)28)23(32)3419)7817(18)311320(26)241554616(1115)332h411H31213H212H3(H2426)(H2728)b1910
MFCD30710632
ZINC000033827567
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