Vitas-M small molecule compound

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

Catalog ID
STK578342
SMILES O=C(Nc1ccc(c(c1)C(=O)O)O)CCN1C(=S)S/C(=C/c2ccc(cc2)F)/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/c21-12-3-1-11(2-4-12)9-16-18(26)23(20(29)30-16)8-7-17(25)22-13-5-6-15(24)14(10-13)19(27)28/h1-6,9-10,24H,7-8H2,(H,22,25)(H,27,28)/b16-9+
InChIKey
ZFMBMLHIWJAWTN-CXUHLZMHSA-N
Synonyms
902321-58-8
(E)5(3(5(4fluorobenzylidene)4oxo2thioxothiazolidin3yl)propanamido)2hydroxybenzoicacid
5((3((5E)5(4fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)propanoyl)amino)2hydroxybenzoicacid
5(3((5E)5((4fluorophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoylamino)2hydroxybenzoicacid
902321588
C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CCC(=O)NC3=CC(=C(C=C3)O)C(=O)O)F
InChI=1SC20H15FN2O5S2c21123111(2412)91618(26)23(20(29)3016)8717(25)22135615(24)14(1013)19(27)28h1691024H78H2(H2225)(H2728)b169+
MFCD06792595
O=C(Nc1ccc(c(c1)C(=O)O)O)CCN1C(=S)SC(=Cc2ccc(cc2)F)C1=O
ZINC000009429616
ZINC9429616

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Available files

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