Vitas-M small molecule compound
ethyl 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STK836093
SMILES CCOC(=O)CCN1C(=S)S/C(=C/c2ccc3c(c2)OCO3)/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 C16H15NO5S2 MW 365.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO5S2/c1-2-20-14(18)5-6-17-15(19)13(24-16(17)23)8-10-3-4-11-12(7-10)22-9-21-11/h3-4,7-8H,2,5-6,9H2,1H3/b13-8+InChIKey
JKTJNKVHYQWIML-MDWZMJQESA-NSynonyms
307542-07-0(E)ethyl3(5(benzo(d)(13)dioxol5ylmethylene)4oxo2thioxothiazolidin3yl)propanoate
307542070
CCOC(=O)CCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S
CCOC(=O)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
ETHYL3((5E)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
ethyl3((5E)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)propanoate
InChI=1SC16H15NO5S2c122014(18)561715(19)13(2416(17)23)810341112(710)2292111h3478H2569H21H3b138+
MFCD01943249
ZINC000004844266
ZINC04844266
ZINC4844266
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