Vitas-M small molecule compound

4-(methylsulfanyl)-2-[(5E)-4-oxo-2-thioxo-5-({5-[2-(trifluoromethyl)phenyl]furan-2-yl}methylidene)-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STL022753
SMILES CSCCC(N1C(=S)S/C(=C/c2ccc(o2)c2ccccc2C(F)(F)F)/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 C20H16F3NO4S3 MW 487.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16F3NO4S3/c1-30-9-8-14(18(26)27)24-17(25)16(31-19(24)29)10-11-6-7-15(28-11)12-4-2-3-5-13(12)20(21,22)23/h2-7,10,14H,8-9H2,1H3,(H,26,27)/b16-10+
InChIKey
QREKVLJPSMJDQX-MHWRWJLKSA-N
Synonyms

4(methylsulfanyl)2((5E)4oxo2thioxo5((5(2(trifluoromethyl)phenyl)furan2yl)methylidene)13thiazolidin3yl)butanoicacid
4methylsulfanyl2((5E)4oxo2sulfanylidene5((5(2(trifluoromethyl)phenyl)furan2yl)methylidene)13thiazolidin3yl)butanoicacid
4METHYLTHIO2(4OXO2THIOXO5((5(2(TRIFLUOROMETHYL)PHENYL)(2FURYL))METHYLENE)(13THIAZOLIDIN3YL))BUTANOICACID
CSCCC(C(=O)O)N1C(=O)C(=CC2=CC=C(O2)C3=CC=CC=C3C(F)(F)F)SC1=S
CSCCC(N1C(=S)SC(=Cc2ccc(o2)c2ccccc2C(F)(F)F)C1=O)C(=O)O
InChI=1SC20H16F3NO4S3c1309814(18(26)27)2417(25)16(3119(24)29)10116715(2811)12423513(12)20(2122)23h271014H89H21H3(H2627)b1610+
MFCD07802265
ZINC000008819003
ZINC000009884835

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Available files

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