Vitas-M small molecule compound
4-(methylsulfanyl)-2-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
Catalog ID
STK546351
SMILES CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)C(C(=O)O)CCSC
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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 C23H31NO4S3 MW 481.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO4S3/c1-3-4-5-6-7-8-14-28-18-11-9-17(10-12-18)16-20-21(25)24(23(29)31-20)19(22(26)27)13-15-30-2/h9-12,16,19H,3-8,13-15H2,1-2H3,(H,26,27)/b20-16-InChIKey
XIIZGDFYPLQGGI-SILNSSARSA-NSynonyms
(Z)4(methylthio)2(5(4(octyloxy)benzylidene)4oxo2thioxothiazolidin3yl)butanoicacid
4(methylsulfanyl)2((5Z)5(4(octyloxy)benzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4METHYLSULFANYL2((5Z)5((4OCTOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4METHYLTHIO2(5((4OCTYLOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))BUTANOICACID
CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O
CCCCCCCCOc1ccc(cc1)C=C1SC(=S)N(C1=O)C(C(=O)O)CCSC
InChI=1SC23H31NO4S3c134567814281811917(101218)162021(25)24(23(29)3120)19(22(26)27)1315302h9121619H381315H212H3(H2627)b2016
MFCD03287024
ZINC000100830143
ZINC000100830144
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