Vitas-M small molecule compound

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

Catalog ID
STL307744
SMILES O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=O)S/C(=C\c2cccc(c2)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 C20H15FN2O6S MW 430.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN2O6S/c21-12-3-1-2-11(8-12)9-16-18(26)23(20(29)30-16)7-6-17(25)22-15-5-4-13(24)10-14(15)19(27)28/h1-5,8-10,24H,6-7H2,(H,22,25)(H,27,28)/b16-9-
InChIKey
CVAIEHGWDRCDQC-SXGWCWSVSA-N
Synonyms
902041-71-8
(Z)2(3(5(3fluorobenzylidene)24dioxothiazolidin3yl)propanamido)5hydroxybenzoicacid
2((3((5Z)5(3fluorobenzylidene)24dioxo13thiazolidin3yl)propanoyl)amino)5hydroxybenzoicacid
2(3((5Z)5((3FLUOROPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOYLAMINO)5HYDROXYBENZOICACID
2(3(5((3FLUOROPHENYL)METHYLENE)24DIOXO(13THIAZOLIDIN3YL))PROPANOYLAMINO)5HYDROXYBENZOICACID
902041718
C1=CC(=CC(=C1)F)C=C2C(=O)N(C(=O)S2)CCC(=O)NC3=C(C=C(C=C3)O)C(=O)O
InChI=1SC20H15FN2O6Sc211231211(812)91618(26)23(20(29)3016)7617(25)22155413(24)1014(15)19(27)28h1581024H67H2(H2225)(H2728)b169
MFCD06784536
O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=O)SC(=Cc2cccc(c2)F)C1=O
ZINC000013572237
ZINC13572237

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Available files

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