Vitas-M small molecule compound
butyl 3-[(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoate
Catalog ID
STL231767
SMILES CCCCOC(=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 C18H19NO5S2 MW 393.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19NO5S2/c1-2-3-8-22-16(20)6-7-19-17(21)15(26-18(19)25)10-12-4-5-13-14(9-12)24-11-23-13/h4-5,9-10H,2-3,6-8,11H2,1H3/b15-10-InChIKey
HTKSYENDGICWJS-GDNBJRDFSA-NSynonyms
(E)butyl3(5(benzo(d)(13)dioxol5ylmethylene)4oxo2thioxothiazolidin3yl)propanoate
BUTYL3((5Z)5(13BENZODIOXOL5YLMETHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOATE
butyl3((5Z)5(13benzodioxol5ylmethylidene)4oxo2thioxo13thiazolidin3yl)propanoate
BUTYL3(5(2HBENZO(34D)13DIOXOLEN5YLMETHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)PROPANOATE
CCCCOC(=O)CCN1C(=O)C(=CC2=CC3=C(C=C2)OCO3)SC1=S
CCCCOC(=O)CCN1C(=S)SC(=Cc2ccc3c(c2)OCO3)C1=O
InChI=1SC18H19NO5S2c12382216(20)671917(21)15(2618(19)25)1012451314(912)24112313h45910H236811H21H3b1510
MFCD02078519
ZINC000001767637
ZINC01767637
ZINC1767637
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