Vitas-M small molecule compound
ethyl [(5E)-5-{4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Catalog ID
STK153480
SMILES CCOC(=O)CN1C(=O)S/C(=C/c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])C(F)(F)F)/C1=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 C21H15F3N2O7S MW 496.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N2O7S/c1-2-32-18(27)11-25-19(28)17(34-20(25)29)9-12-3-6-14(7-4-12)33-16-8-5-13(21(22,23)24)10-15(16)26(30)31/h3-10H,2,11H2,1H3/b17-9+InChIKey
LBGWXUDJYARMJT-RQZCQDPDSA-NSynonyms
CCOC(=O)CN1C(=O)C(=CC2=CC=C(C=C2)OC3=C(C=C(C=C3)C(F)(F)F)(N+)(=O)(O))SC1=O
CCOC(=O)CN1C(=O)SC(=Cc2ccc(cc2)Oc2ccc(cc2(N+)(=O)(O))C(F)(F)F)C1=O
ETHYL((5E)5(4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)BENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
ETHYL2((5E)5((4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
InChI=1SC21H15F3N2O7Sc123218(27)112519(28)17(3420(25)29)9123614(7412)33168513(21(2223)24)1015(16)26(30)31h310H211H21H3b179+
MFCD03142177
ZINC000006491939
ZINC06491939
ZINC6491939
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