Vitas-M small molecule compound
(5E)-5-[4-(octyloxy)benzylidene]-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK995264
SMILES CCCCCCCCOc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)CCc1ccccc1
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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 C26H31NO2S2 MW 453.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO2S2/c1-2-3-4-5-6-10-19-29-23-15-13-22(14-16-23)20-24-25(28)27(26(30)31-24)18-17-21-11-8-7-9-12-21/h7-9,11-16,20H,2-6,10,17-19H2,1H3/b24-20+InChIKey
NYMKBNPUZUQIKH-HIXSDJFHSA-NSynonyms
(5E)5((4octoxyphenyl)methylidene)3(2phenylethyl)2sulfanylidene13thiazolidin4one
(5E)5(4(octyloxy)benzylidene)3(2phenylethyl)2thioxo13thiazolidin4one
(Z)5(4(octyloxy)benzylidene)3phenethyl2thioxothiazolidin4one
CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC3=CC=CC=C3
CCCCCCCCOc1ccc(cc1)C=C1SC(=S)N(C1=O)CCc1ccccc1
InChI=1SC26H31NO2S2c12345610192923151322(141623)202425(28)27(26(30)3124)181721118791221h79111620H26101719H21H3b2420+
MFCD18185187
ZINC000097968966
ZINC97968966
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