Vitas-M small molecule compound

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

Catalog ID
STK606433
SMILES O=C(Nc1ccc(c(c1)C(=O)O)O)CCN1C(=S)S/C(=C/c2ccccc2F)/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 C20H15FN2O5S2 MW 446.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN2O5S2/c21-14-4-2-1-3-11(14)9-16-18(26)23(20(29)30-16)8-7-17(25)22-12-5-6-15(24)13(10-12)19(27)28/h1-6,9-10,24H,7-8H2,(H,22,25)(H,27,28)/b16-9+
InChIKey
HJZDXPYCCBQWDA-CXUHLZMHSA-N
Synonyms
477512-44-0
(E)5(3(5(2fluorobenzylidene)4oxo2thioxothiazolidin3yl)propanamido)2hydroxybenzoicacid
477512440
5((3((5E)5(2fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)2hydroxybenzoicacid
5(3((5E)5((2fluorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoylamino)2hydroxybenzoicacid
5(3(5((2FLUOROPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))PROPANOYLAMINO)2HYDROXYBENZOICACID
C1=CC=C(C(=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)F
InChI=1SC20H15FN2O5S2c2114421311(14)91618(26)23(20(29)3016)8717(25)22125615(24)13(1012)19(27)28h1691024H78H2(H2225)(H2728)b169+
MFCD06742949
O=C(Nc1ccc(c(c1)C(=O)O)O)CCN1C(=S)SC(=Cc2ccccc2F)C1=O
ZINC000008819281
ZINC8819281

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Available files

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