Vitas-M small molecule compound

[(5E)-5-(3-methoxy-4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid

Catalog ID
STL428668
SMILES COc1cc(ccc1C)/C=C\1/SC(=S)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 C14H13NO4S2 MW 323.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H13NO4S2/c1-8-3-4-9(5-10(8)19-2)6-11-13(18)15(7-12(16)17)14(20)21-11/h3-6H,7H2,1-2H3,(H,16,17)/b11-6+
InChIKey
UZVFCPNUMMZQJS-IZZDOVSWSA-N
Synonyms

((5E)5(3methoxy4methylbenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((3methoxy4methylphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC
COc1cc(ccc1C)C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC14H13NO4S2c18349(510(8)192)61113(18)15(712(16)17)14(20)2111h36H7H212H3(H1617)b116+
MFCD05041197
ZINC000009310528

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Available files

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