Vitas-M small molecule compound

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

Catalog ID
STK836788
SMILES O=C(Nc1ccc(c(c1)Cl)F)CCCN1C(=S)S/C(=C\c2ccc(cc2)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 C21H18ClFN2O2S2 MW 448.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClFN2O2S2/c1-13-4-6-14(7-5-13)11-18-20(27)25(21(28)29-18)10-2-3-19(26)24-15-8-9-17(23)16(22)12-15/h4-9,11-12H,2-3,10H2,1H3,(H,24,26)/b18-11-
InChIKey
LGHZZTWJNIRMSS-WQRHYEAKSA-N
Synonyms

(Z)N(3chloro4fluorophenyl)4(5(4methylbenzylidene)4oxo2thioxothiazolidin3yl)butanamide
CC1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCCC(=O)NC3=CC(=C(C=C3)F)Cl
InChI=1SC21H18ClFN2O2S2c1134614(7513)111820(27)25(21(28)2918)102319(26)24158917(23)16(22)1215h491112H2310H21H3(H2426)b1811
MFCD02369878
N(3CHLORO4FLUOROPHENYL)4((5Z)5((4METHYLPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANAMIDE
N(3chloro4fluorophenyl)4((5Z)5(4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)butanamide
O=C(Nc1ccc(c(c1)Cl)F)CCCN1C(=S)SC(=Cc2ccc(cc2)C)C1=O
ZINC000013802092
ZINC13802092

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Available files

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