Vitas-M small molecule compound

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

Catalog ID
STL036244
SMILES O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=O)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 C20H15FN2O6S MW 430.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H15FN2O6S/c21-14-4-2-1-3-11(14)9-16-18(26)23(20(29)30-16)8-7-17(25)22-15-6-5-12(24)10-13(15)19(27)28/h1-6,9-10,24H,7-8H2,(H,22,25)(H,27,28)/b16-9-
InChIKey
UKCSCJZHKADATB-SXGWCWSVSA-N
Synonyms
902046-63-3
(Z)2(3(5(2fluorobenzylidene)24dioxothiazolidin3yl)propanamido)5hydroxybenzoicacid
2((3((5Z)5(2fluorobenzylidene)24dioxo13thiazolidin3yl)propanoyl)amino)5hydroxybenzoicacid
2(3((5Z)5((2FLUOROPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)PROPANOYLAMINO)5HYDROXYBENZOICACID
2(3(5((2FLUOROPHENYL)METHYLENE)24DIOXO(13THIAZOLIDIN3YL))PROPANOYLAMINO)5HYDROXYBENZOICACID
902046633
C1=CC=C(C(=C1)C=C2C(=O)N(C(=O)S2)CCC(=O)NC3=C(C=C(C=C3)O)C(=O)O)F
InChI=1SC20H15FN2O6Sc2114421311(14)91618(26)23(20(29)3016)8717(25)22156512(24)1013(15)19(27)28h1691024H78H2(H2225)(H2728)b169
MFCD06785936
O=C(Nc1ccc(cc1C(=O)O)O)CCN1C(=O)SC(=Cc2ccccc2F)C1=O
ZINC000009253095
ZINC9253095

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Available files

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