Vitas-M small molecule compound
[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl][4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methanone
Catalog ID
STL539086
SMILES COc1ccc(cc1)C1(CCOCC1)C(=O)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 C22H31NO4 MW 373.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31NO4/c1-26-19-7-5-17(6-8-19)21(11-14-27-15-12-21)20(24)23-13-10-22(25)9-3-2-4-18(22)16-23/h5-8,18,25H,2-4,9-16H2,1H3/t18-,22-/m0/s1InChIKey
KQJRFBKWEHOVBM-AVRDEDQJSA-NSynonyms
((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)(4(4methoxyphenyl)oxan4yl)methanone
((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)(4(4methoxyphenyl)tetrahydro2Hpyran4yl)methanone
(4ahydroxyoctahydroisoquinolin2(1H)yl)(4(4methoxyphenyl)tetrahydro2Hpyran4yl)methanone
71754222
COc1ccc(cc1)C1(CCOCC1)C(=O)N1CCC2(C(C1)CCCC2)O
InChI=1SC22H31NO4c126197517(6819)21(111427151221)20(24)23131022(25)932418(22)1623h581825H24916H21H3t1822m0s1
ZINC000085874812
ZINC85874812
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