Vitas-M small molecule compound

{3-[(5Z)-5-(4-fluorobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]-2,5-dioxopyrrolidin-1-yl}acetic acid

Catalog ID
STK737711
SMILES OC(=O)CN1C(=O)CC(C1=O)N1C(=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 C16H11FN2O5S2 MW 394.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11FN2O5S2/c17-9-3-1-8(2-4-9)5-11-15(24)19(16(25)26-11)10-6-12(20)18(14(10)23)7-13(21)22/h1-5,10H,6-7H2,(H,21,22)/b11-5-
InChIKey
ALYMXOLJXZPQNH-WZUFQYTHSA-N
Synonyms
500202-92-6
(3((5Z)5(4fluorobenzylidene)4oxo2thioxo13thiazolidin3yl)25dioxopyrrolidin1yl)aceticacid
(Z)2(3(5(4fluorobenzylidene)4oxo2thioxothiazolidin3yl)25dioxopyrrolidin1yl)aceticacid
2(3((5Z)5((4FLUOROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)25DIOXOPYRROLIDIN1YL)ACETICACID
2(3(5((4FLUOROPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))25DIOXOAZOLIDINYL)ACETICACID
500202926
C1C(C(=O)N(C1=O)CC(=O)O)N2C(=O)C(=CC3=CC=C(C=C3)F)SC2=S
InChI=1SC16H11FN2O5S2c179318(249)51115(24)19(16(25)2611)10612(20)18(14(10)23)713(21)22h1510H67H2(H2122)b115
MFCD03847518
OC(=O)CN1C(=O)CC(C1=O)N1C(=S)SC(=Cc2ccc(cc2)F)C1=O
ZINC000001804913
ZINC000019910974

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Available files

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