Vitas-M small molecule compound
methyl 2-[(5E)-5-(3-chloro-4-{2-[(4-fluorophenyl)amino]-2-oxoethoxy}benzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK155243
SMILES COC(=O)C(N1C(=O)S/C(=C/c2ccc(c(c2)Cl)OCC(=O)Nc2ccc(cc2)F)/C1=O)C
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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 C22H18ClFN2O6S MW 492.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18ClFN2O6S/c1-12(21(29)31-2)26-20(28)18(33-22(26)30)10-13-3-8-17(16(23)9-13)32-11-19(27)25-15-6-4-14(24)5-7-15/h3-10,12H,11H2,1-2H3,(H,25,27)/b18-10+InChIKey
XVUHOGNZFLRHAE-VCHYOVAHSA-NSynonyms
CC(C(=O)OC)N1C(=O)C(=CC2=CC(=C(C=C2)OCC(=O)NC3=CC=C(C=C3)F)Cl)SC1=O
COC(=O)C(N1C(=O)SC(=Cc2ccc(c(c2)Cl)OCC(=O)Nc2ccc(cc2)F)C1=O)C
InChI=1SC22H18ClFN2O6Sc112(21(29)312)2620(28)18(3322(26)30)10133817(16(23)913)321119(27)25156414(24)5715h31012H11H212H3(H2527)b1810+
METHYL2((5E)5((3CHLORO4(2(4FLUOROANILINO)2OXOETHOXY)PHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
METHYL2((5E)5(3CHLORO4(2((4FLUOROPHENYL)AMINO)2OXOETHOXY)BENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOATE
MFCD03721407
ZINC000012381057
ZINC000012381058
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