Vitas-M small molecule compound

2-[(5Z)-5-{[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-4-(methylsulfanyl)butanoic acid

Catalog ID
STL022730
SMILES CSCCC(N1C(=S)S/C(=C\c2ccc(o2)c2ccc(cc2Cl)[N+](=O)[O-])/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 C19H15ClN2O6S3 MW 498.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15ClN2O6S3/c1-30-7-6-14(18(24)25)21-17(23)16(31-19(21)29)9-11-3-5-15(28-11)12-4-2-10(22(26)27)8-13(12)20/h2-5,8-9,14H,6-7H2,1H3,(H,24,25)/b16-9-
InChIKey
CIJZWPZWCUZQDM-SXGWCWSVSA-N
Synonyms

2((5Z)5((5(2chloro4nitrophenyl)furan2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)4methylsulfanylbutanoicacid
2((5Z)5((5(2chloro4nitrophenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)4(methylsulfanyl)butanoicacid
CSCCC(C(=O)O)N1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)SC1=S
CSCCC(N1C(=S)SC(=Cc2ccc(o2)c2ccc(cc2Cl)(N+)(=O)(O))C1=O)C(=O)O
InChI=1SC19H15ClN2O6S3c1307614(18(24)25)2117(23)16(3119(21)29)9113515(2811)124210(22(26)27)813(12)20h258914H67H21H3(H2425)b169
MFCD08378283
ZINC000040567361
ZINC000040567363

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Available files

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