Vitas-M small molecule compound

4-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-N-(3-fluorophenyl)butanamide

Catalog ID
STK836053
SMILES CCc1ccc(cc1)/C=C/1\SC(=S)N(C1=O)CCCC(=O)Nc1cccc(c1)F

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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 C22H21FN2O2S2 MW 428.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN2O2S2/c1-2-15-8-10-16(11-9-15)13-19-21(27)25(22(28)29-19)12-4-7-20(26)24-18-6-3-5-17(23)14-18/h3,5-6,8-11,13-14H,2,4,7,12H2,1H3,(H,24,26)/b19-13-
InChIKey
SQMMUSGVZZUEGY-UYRXBGFRSA-N
Synonyms

(Z)4(5(4ethylbenzylidene)4oxo2thioxothiazolidin3yl)N(3fluorophenyl)butanamide
4((5Z)5((4ETHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)N(3FLUOROPHENYL)BUTANAMIDE
4((5Z)5(4ethylbenzylidene)4oxo2thioxo13thiazolidin3yl)N(3fluorophenyl)butanamide
CCC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=CC=C3)F
CCc1ccc(cc1)C=C1SC(=S)N(C1=O)CCCC(=O)Nc1cccc(c1)F
InChI=1SC22H21FN2O2S2c121581016(11915)131921(27)25(22(28)2919)124720(26)241863517(23)1418h3568111314H24712H21H3(H2426)b1913
MFCD01958969
ZINC000013775542
ZINC13775542

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Available files

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