Vitas-M small molecule compound

4-{(5Z)-5-[4-(octyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid

Catalog ID
STK546534
SMILES CCCCCCCCOc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)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 C22H29NO4S2 MW 435.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H29NO4S2/c1-2-3-4-5-6-7-15-27-18-12-10-17(11-13-18)16-19-21(26)23(22(28)29-19)14-8-9-20(24)25/h10-13,16H,2-9,14-15H2,1H3,(H,24,25)/b19-16-
InChIKey
IBGWKDNLDLBHBC-MNDPQUGUSA-N
Synonyms
498537-95-4
(Z)4(5(4(octyloxy)benzylidene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5Z)5((4OCTOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4((5Z)5(4(octyloxy)benzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4(5((4OCTYLOXYPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
498537954
CCCCCCCCOC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)O
CCCCCCCCOc1ccc(cc1)C=C1SC(=S)N(C1=O)CCCC(=O)O
InChI=1SC22H29NO4S2c1234567152718121017(111318)161921(26)23(22(28)2919)148920(24)25h101316H291415H21H3(H2425)b1916
MFCD03301853
ZINC000100856051
ZINC100856051

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Available files

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