Vitas-M small molecule compound
2-{[5-(5-chloro-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Catalog ID
STK245642
SMILES Clc1ccc2c(c1)cc(o2)c1nnc(n1C)SCC(=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 C22H19ClN4O2S MW 438.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClN4O2S/c1-26-21(19-11-16-10-17(23)6-7-18(16)29-19)24-25-22(26)30-13-20(28)27-9-8-14-4-2-3-5-15(14)12-27/h2-7,10-11H,8-9,12-13H2,1H3InChIKey
ABNPGKMFRGATHC-UHFFFAOYSA-NSynonyms
2((5(5chloro1benzofuran2yl)4methyl124triazol3yl)sulfanyl)1(34dihydro1Hisoquinolin2yl)ethanone
2((5(5CHLORO1BENZOFURAN2YL)4METHYL4H124TRIAZOL3YL)SULFANYL)1(34DIHYDROISOQUINOLIN2(1H)YL)ETHANONE
2(5(5CHLOROBENZOFURAN2YL)4METHYL4H(124)TRIAZOL3YLSULFANYL)1(34DIHYDRO1HISOQUINOLIN2YL)ETHANONE
CN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC5=C(O4)C=CC(=C5)Cl
InChI=1SC22H19ClN4O2Sc12621(1911161017(23)6718(16)2919)242522(26)301320(28)279814423515(14)1227h271011H891213H21H3
MFCD08670289
ZINC000009327718
ZINC09327718
ZINC9327718
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