Vitas-M small molecule compound
(5E)-3-(2-chloro-6-fluorobenzyl)-5-{3-methoxy-4-[2-nitro-4-(trifluoromethyl)phenoxy]benzylidene}-1,3-thiazolidine-2,4-dione
Catalog ID
STL379057
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])C(F)(F)F)/C=C\1/SC(=O)N(C1=O)Cc1c(F)cccc1Cl
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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 C25H15ClF4N2O6S MW 582.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H15ClF4N2O6S/c1-37-21-9-13(5-7-20(21)38-19-8-6-14(25(28,29)30)11-18(19)32(35)36)10-22-23(33)31(24(34)39-22)12-15-16(26)3-2-4-17(15)27/h2-11H,12H2,1H3/b22-10+InChIKey
ICHKXUVZIURLRE-LSHDLFTRSA-NSynonyms
(5E)3((2CHLORO6FLUOROPHENYL)METHYL)5((3METHOXY4(2NITRO4(TRIFLUOROMETHYL)PHENOXY)PHENYL)METHYLIDENE)13THIAZOLIDINE24DIONE
(5E)3(2chloro6fluorobenzyl)5(3methoxy4(2nitro4(trifluoromethyl)phenoxy)benzylidene)13thiazolidine24dione
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=C(C=CC=C3Cl)F)OC4=C(C=C(C=C4)C(F)(F)F)(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))C(F)(F)F)C=C1SC(=O)N(C1=O)Cc1c(F)cccc1Cl
InChI=1SC25H15ClF4N2O6Sc13721913(5720(21)38198614(25(2829)30)1118(19)32(35)36)102223(33)31(24(34)3922)121516(26)32417(15)27h211H12H21H3b2210+
MFCD04085255
ZINC000100339559
ZINC100339559
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