Vitas-M small molecule compound
(1S,5R)-N-(isoquinolin-6-yl)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(4H)-carbothioamide
Catalog ID
STL553385
SMILES S=C(N1C[C@H]2CC(C1)c1n(C2)c(=O)ccc1)Nc1ccc2c(c1)ccnc2
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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 C21H20N4OS MW 376.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4OS/c26-20-3-1-2-19-17-8-14(12-25(19)20)11-24(13-17)21(27)23-18-5-4-16-10-22-7-6-15(16)9-18/h1-7,9-10,14,17H,8,11-13H2,(H,23,27)/t14-,17?/m0/s1InChIKey
BKVAIQUEVPGZTC-MBIQTGHCSA-NSynonyms
(1S5R)N(isoquinolin6yl)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocine3(4H)carbothioamide
(9~(R))~(N)isoquinolin6yl6oxo711diazatricyclo(7310^(27))trideca24diene11carbothioamide
135640904
InChI=1SC21H20N4OSc26203121917814(1225(19)20)1124(1317)21(27)2318541610227615(16)918h179101417H81113H2(H2327)t1417?m0s1
ZINC001772492954
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