Vitas-M small molecule compound

2-[(5Z)-5-(4-ethoxy-3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid

Catalog ID
STK546196
SMILES CSCCC(N1C(=S)S/C(=C\c2ccc(c(c2)OC)OCC)/C1=O)C(=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 C18H21NO5S3 MW 427.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21NO5S3/c1-4-24-13-6-5-11(9-14(13)23-2)10-15-16(20)19(18(25)27-15)12(17(21)22)7-8-26-3/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,21,22)/b15-10-
InChIKey
FDLZXRWZCRWRLH-GDNBJRDFSA-N
Synonyms

(Z)2(5(4ethoxy3methoxybenzylidene)4oxo2thioxothiazolidin3yl)4(methylthio)butanoicacid
2((5Z)5((4ETHOXY3METHOXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)4METHYLSULFANYLBUTANOICACID
2((5Z)5(4ethoxy3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
2(5((4ETHOXY3METHOXYPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))4METHYLTHIOBUTANOICACID
2(5(4ETHOXY3METHOXYBENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)4(METHYLSULFANYL)BUTANOICACID
CCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)C(CCSC)C(=O)O)OC
CSCCC(N1C(=S)SC(=Cc2ccc(c(c2)OC)OCC)C1=O)C(=O)O
InChI=1SC18H21NO5S3c1424136511(914(13)232)101516(20)19(18(25)2715)12(17(21)22)78263h5691012H478H213H3(H2122)b1510
MFCD03293052
ZINC000001815055
ZINC000001815057

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.