Vitas-M small molecule compound

methyl 3-{(5E)-5-[4-(dimethylamino)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}propanoate

Catalog ID
STK968765
SMILES COC(=O)CCN1C(=S)S/C(=C/c2ccc(cc2)N(C)C)/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 C16H18N2O3S2 MW 350.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H18N2O3S2/c1-17(2)12-6-4-11(5-7-12)10-13-15(20)18(16(22)23-13)9-8-14(19)21-3/h4-7,10H,8-9H2,1-3H3/b13-10+
InChIKey
TZOFZQLQTZQGTO-JLHYYAGUSA-N
Synonyms
19574-19-7
(E)methyl3(5(4(dimethylamino)benzylidene)4oxo2thioxothiazolidin3yl)propanoate
19574197
CN(C)C1=CC=C(C=C1)C=C2C(=O)N(C(=S)S2)CCC(=O)OC
COC(=O)CCN1C(=S)SC(=Cc2ccc(cc2)N(C)C)C1=O
InChI=1SC16H18N2O3S2c117(2)126411(5712)101315(20)18(16(22)2313)9814(19)213h4710H89H213H3b1310+
methyl3((5E)5((4(dimethylamino)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)propanoate
METHYL3((5E)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
methyl3((5E)5(4(dimethylamino)benzylidene)4oxo2thioxo13thiazolidin3yl)propanoate
METHYL3(5((4(DIMETHYLAMINO)PHENYL)METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOATE
MFCD02332159
ZINC000001297733
ZINC01297733
ZINC1297733

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Available files

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