Vitas-M small molecule compound
{(5Z)-5-[3-ethoxy-4-(2-oxo-2-{[2-(propan-2-yl)phenyl]amino}ethoxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STL428683
SMILES CCOc1cc(ccc1OCC(=O)Nc1ccccc1C(C)C)/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 C25H26N2O6S2 MW 514.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N2O6S2/c1-4-32-20-11-16(12-21-24(31)27(13-23(29)30)25(34)35-21)9-10-19(20)33-14-22(28)26-18-8-6-5-7-17(18)15(2)3/h5-12,15H,4,13-14H2,1-3H3,(H,26,28)(H,29,30)/b21-12-InChIKey
NILHBJGZNBCEOR-MTJSOVHGSA-NSynonyms
((5Z)5(3ethoxy4(2oxo2((2(propan2yl)phenyl)amino)ethoxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5Z)5((3ethoxy4(2oxo2(2propan2ylanilino)ethoxy)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OCC(=O)NC3=CC=CC=C3C(C)C
CCOc1cc(ccc1OCC(=O)Nc1ccccc1C(C)C)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC25H26N2O6S2c1432201116(122124(31)27(1323(29)30)25(34)3521)91019(20)331422(28)2618865717(18)15(2)3h51215H41314H213H3(H2628)(H2930)b2112
MFCD30710637
ZINC000033788166
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