Vitas-M small molecule compound

2-[(5Z)-5-(3-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid

Catalog ID
STK558258
SMILES OC(=O)CC(N1C(=S)S/C(=C\c2cccc(c2)F)/C1=O)C(=O)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 C14H10FNO5S2 MW 355.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H10FNO5S2/c15-8-3-1-2-7(4-8)5-10-12(19)16(14(22)23-10)9(13(20)21)6-11(17)18/h1-5,9H,6H2,(H,17,18)(H,20,21)/b10-5-
InChIKey
BTJROYZAVDIBEQ-YHYXMXQVSA-N
Synonyms

(Z)2(5(3fluorobenzylidene)4oxo2thioxothiazolidin3yl)succinicacid
2((5Z)5((3FLUOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANEDIOICACID
2((5Z)5(3fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)butanedioicacid
2(5((3FLUOROPHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANEDIOICACID
C1=CC(=CC(=C1)F)C=C2C(=O)N(C(=S)S2)C(CC(=O)O)C(=O)O
InChI=1SC14H10FNO5S2c1583127(48)51012(19)16(14(22)2310)9(13(20)21)611(17)18h159H6H2(H1718)(H2021)b105
MFCD04031003
OC(=O)CC(N1C(=S)SC(=Cc2cccc(c2)F)C1=O)C(=O)O
ZINC000002393930
ZINC000002393932

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Available files

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