Vitas-M small molecule compound
3-{(5Z)-4-oxo-5-[4-(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethoxy)benzylidene]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
Catalog ID
STK053095
SMILES O=C(Nc1cccc(c1)C(F)(F)F)COc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCC(=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 C22H17F3N2O5S2 MW 510.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17F3N2O5S2/c23-22(24,25)14-2-1-3-15(11-14)26-18(28)12-32-16-6-4-13(5-7-16)10-17-20(31)27(21(33)34-17)9-8-19(29)30/h1-7,10-11H,8-9,12H2,(H,26,28)(H,29,30)/b17-10-InChIKey
FBGWFENTOJKARQ-YVLHZVERSA-NSynonyms
3((5Z)4OXO5((4(2OXO2(3(TRIFLUOROMETHYL)ANILINO)ETHOXY)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
3((5Z)4OXO5(4(2OXO2((3(TRIFLUOROMETHYL)PHENYL)AMINO)ETHOXY)BENZYLIDENE)2THIOXO13THIAZOLIDIN3YL)PROPANOICACID
C1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)C=C3C(=O)N(C(=S)S3)CCC(=O)O)C(F)(F)F
InChI=1SC22H17F3N2O5S2c2322(2425)1421315(1114)2618(28)1232166413(5716)101720(31)27(21(33)3417)9819(29)30h171011H8912H2(H2628)(H2930)b1710
MFCD04556138
O=C(Nc1cccc(c1)C(F)(F)F)COc1ccc(cc1)C=C1SC(=S)N(C1=O)CCC(=O)O
STK053095
ZINC000013943799
ZINC13943799
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