Vitas-M small molecule compound
(5E)-5-{[1-(3,4-dichlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-3-(3-fluorophenyl)-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL418983
SMILES Fc1cccc(c1)N1C(=S)S/C(=C/c2cc(n(c2C)c2ccc(c(c2)Cl)Cl)C)/C1=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 C22H15Cl2FN2OS2 MW 477.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H15Cl2FN2OS2/c1-12-8-14(13(2)26(12)17-6-7-18(23)19(24)11-17)9-20-21(28)27(22(29)30-20)16-5-3-4-15(25)10-16/h3-11H,1-2H3/b20-9+InChIKey
JTDLXPYKSMSKAH-AWQFTUOYSA-NSynonyms
(5E)5((1(34dichlorophenyl)25dimethyl1Hpyrrol3yl)methylidene)3(3fluorophenyl)2thioxo13thiazolidin4one
(5E)5((1(34DICHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)3(3FLUOROPHENYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
CC1=CC(=C(N1C2=CC(=C(C=C2)Cl)Cl)C)C=C3C(=O)N(C(=S)S3)C4=CC(=CC=C4)F
Fc1cccc(c1)N1C(=S)SC(=Cc2cc(n(c2C)c2ccc(c(c2)Cl)Cl)C)C1=O
InChI=1SC22H15Cl2FN2OS2c112814(13(2)26(12)176718(23)19(24)1117)92021(28)27(22(29)3020)1653415(25)1016h311H12H3b209+
MFCD03706900
ZINC000002993156
ZINC02993156
ZINC2993156
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