Vitas-M small molecule compound
4-{[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]carbonyl}-2-methylisoquinolin-1(2H)-one
Catalog ID
STL539062
SMILES O=C(c1cn(C)c(=O)c2c1cccc2)N1CC[C@@]2([C@H](C1)CCCC2)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 C20H24N2O3 MW 340.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N2O3/c1-21-13-17(15-7-2-3-8-16(15)18(21)23)19(24)22-11-10-20(25)9-5-4-6-14(20)12-22/h2-3,7-8,13-14,25H,4-6,9-12H2,1H3/t14-,20-/m0/s1InChIKey
UQMBUJIBEBJLIK-XOBRGWDASA-NSynonyms
1442076-52-91442076529
4(((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)carbonyl)2methylisoquinolin1(2H)one
4((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinoline2carbonyl)2methylisoquinolin1one
4(4ahydroxydecahydroisoquinoline2carbonyl)2methylisoquinolin1(2H)one
71753976
InChI=1SC20H24N2O3c1211317(15723816(15)18(21)23)19(24)22111020(25)954614(20)1222h2378131425H46912H21H3t1420m0s1
O=C(c1cn(C)c(=O)c2c1cccc2)N1CCC2(C(C1)CCCC2)O
ZINC000079190710
ZINC79190710
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