Vitas-M small molecule compound
ethyl (2Z)-2-({[2-(3-methylbutyl)-1-oxo-1,2-dihydroisoquinolin-4-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazole-4-carboxylate
Catalog ID
STL246596
SMILES CCOC(=O)c1cs/c(=N\C(=O)c2cn(CCC(C)C)c(=O)c3c2cccc3)/[nH]1
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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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-4-28-20(27)17-12-29-21(22-17)23-18(25)16-11-24(10-9-13(2)3)19(26)15-8-6-5-7-14(15)16/h5-8,11-13H,4,9-10H2,1-3H3,(H,22,23,25)InChIKey
WQJGLVIKAKMZPQ-UHFFFAOYSA-NSynonyms
1351688-29-31351688293
CCOC(=O)c1csc(=NC(=O)c2cn(CCC(C)C)c(=O)c3c2cccc3)(nH)1
ethyl(2Z)2(((2(3methylbutyl)1oxo12dihydroisoquinolin4yl)carbonyl)imino)23dihydro13thiazole4carboxylate
MFCD24860602
ZINC000072400829
ZINC72400829
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