Vitas-M small molecule compound

[(5E)-5-(4-ethoxy-3-iodobenzylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STK117861
SMILES CCOc1ccc(cc1I)/C=C\1/SC(=O)N(C1=O)CC(=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 C14H12INO5S MW 433.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12INO5S/c1-2-21-10-4-3-8(5-9(10)15)6-11-13(19)16(7-12(17)18)14(20)22-11/h3-6H,2,7H2,1H3,(H,17,18)/b11-6+
InChIKey
FAJGPWPUVPLLJD-IZZDOVSWSA-N
Synonyms

((5E)5(4ETHOXY3IODOBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETICACID
2((5E)5((4ethoxy3iodophenyl)methylidene)24dioxo13thiazolidin3yl)aceticacid
CCOC1=C(C=C(C=C1)C=C2C(=O)N(C(=O)S2)CC(=O)O)I
CCOc1ccc(cc1I)C=C1SC(=O)N(C1=O)CC(=O)O
InChI=1SC14H12INO5Sc122110438(59(10)15)61113(19)16(712(17)18)14(20)2211h36H27H21H3(H1718)b116+
MFCD04128170
ZINC000009323690
ZINC9323690

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Available files

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