Vitas-M small molecule compound
3-(2,5-dimethyl-1H-pyrrol-1-yl)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]propan-1-one
Catalog ID
STL546206
SMILES O=C(N1CC[C@@]2([C@H](C1)CCCC2)O)CCn1c(C)ccc1C
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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 C18H28N2O2 MW 304.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H28N2O2/c1-14-6-7-15(2)20(14)11-8-17(21)19-12-10-18(22)9-4-3-5-16(18)13-19/h6-7,16,22H,3-5,8-13H2,1-2H3/t16-,18-/m0/s1InChIKey
VQHXPYTYBNLTNQ-WMZOPIPTSA-NSynonyms
1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(25dimethylpyrrol1yl)propan1one
121540976
3(25dimethyl1Hpyrrol1yl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
3(25dimethyl1Hpyrrol1yl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
InChI=1SC18H28N2O2c1146715(2)20(14)11817(21)19121018(22)943516(18)1319h671622H35813H212H3t1618m0s1
O=C(N1CCC2(C(C1)CCCC2)O)CCn1c(C)ccc1C
ZINC000253413778
ZINC253413778
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