Vitas-M small molecule compound
ethyl 4-[4-amino-5-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-2-thioxo-1,3-thiazol-3(2H)-yl]benzoate
Catalog ID
STL134221
SMILES CCOC(=O)c1ccc(cc1)n1c(=S)sc(c1N)C(=O)N1CCc2c(C1)cccc2
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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 C22H21N3O3S2 MW 439.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O3S2/c1-2-28-21(27)15-7-9-17(10-8-15)25-19(23)18(30-22(25)29)20(26)24-12-11-14-5-3-4-6-16(14)13-24/h3-10H,2,11-13,23H2,1H3InChIKey
KIMXFPGEVGCDDP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)N3CCC4=CC=CC=C4C3)N
ETHYL4(4AMINO5(34DIHYDRO1HISOQUINOLINE2CARBONYL)2SULFANYLIDENE13THIAZOL3YL)BENZOATE
ethyl4(4amino5(34dihydroisoquinolin2(1H)ylcarbonyl)2thioxo13thiazol3(2H)yl)benzoate
InChI=1SC22H21N3O3S2c122821(27)157917(10815)2519(23)18(3022(25)29)20(26)24121114534616(14)1324h310H2111323H21H3
MFCD02651626
ZINC000003018682
ZINC3018682
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