Vitas-M small molecule compound

2-({3-[(5Z)-5-(4-chlorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)benzoic acid

Catalog ID
STK994629
SMILES O=C(Nc1ccccc1C(=O)O)CCN1C(=S)S/C(=C\c2ccc(cc2)Cl)/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 C20H15ClN2O4S2 MW 446.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15ClN2O4S2/c21-13-7-5-12(6-8-13)11-16-18(25)23(20(28)29-16)10-9-17(24)22-15-4-2-1-3-14(15)19(26)27/h1-8,11H,9-10H2,(H,22,24)(H,26,27)/b16-11-
InChIKey
AQDMNHOXKAVQIH-WJDWOHSUSA-N
Synonyms

2((3((5Z)5(4chlorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)benzoicacid
2(3((5Z)5((4CHLOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
2(3(5((4CHLOROPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOYLAMINO)BENZOICACID
C1=CC=C(C(=C1)C(=O)O)NC(=O)CCN2C(=O)C(=CC3=CC=C(C=C3)Cl)SC2=S
InChI=1SC20H15ClN2O4S2c21137512(6813)111618(25)23(20(28)2916)10917(24)2215421314(15)19(26)27h1811H910H2(H2224)(H2627)b1611
MFCD02655380
O=C(Nc1ccccc1C(=O)O)CCN1C(=S)SC(=Cc2ccc(cc2)Cl)C1=O
ZINC000001186667
ZINC1186667

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Available files

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