Vitas-M small molecule compound

2-({2-[(5E)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoyl}amino)-5-hydroxybenzoic acid

Catalog ID
STK587338
SMILES Fc1ccc(cc1)/C=C\1/SC(=S)N(C1=O)C(C(=O)Nc1ccc(cc1C(=O)O)O)C

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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 C20H15FN2O5S2 MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN2O5S2/c1-10(17(25)22-15-7-6-13(24)9-14(15)19(27)28)23-18(26)16(30-20(23)29)8-11-2-4-12(21)5-3-11/h2-10,24H,1H3,(H,22,25)(H,27,28)/b16-8+
InChIKey
OQBKMAFFLQXVTF-LZYBPNLTSA-N
Synonyms

(E)2(2(5(4fluorobenzylidene)4oxo2thioxothiazolidin3yl)propanamido)5hydroxybenzoicacid
2((2((5E)5(4fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)5hydroxybenzoicacid
2(2((5E)5((4FLUOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOYLAMINO)5HYDROXYBENZOICACID
CC(C(=O)NC1=C(C=C(C=C1)O)C(=O)O)N2C(=O)C(=CC3=CC=C(C=C3)F)SC2=S
Fc1ccc(cc1)C=C1SC(=S)N(C1=O)C(C(=O)Nc1ccc(cc1C(=O)O)O)C
InChI=1SC20H15FN2O5S2c110(17(25)22157613(24)914(15)19(27)28)2318(26)16(3020(23)29)8112412(21)5311h21024H1H3(H2225)(H2728)b168+
MFCD06787651
ZINC000013573306
ZINC000013573310

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Available files

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