Vitas-M small molecule compound
[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl][4-(pentyloxy)phenyl]methanone
Catalog ID
STL511394
SMILES CCCCCOc1ccc(cc1)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 C21H31NO3 MW 345.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H31NO3/c1-2-3-6-15-25-19-10-8-17(9-11-19)20(23)22-14-13-21(24)12-5-4-7-18(21)16-22/h8-11,18,24H,2-7,12-16H2,1H3/t18-,21-/m0/s1InChIKey
PHXAHNHFSUYNBQ-RXVVDRJESA-NSynonyms
1212342-78-3((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)(4pentoxyphenyl)methanone
((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)(4(pentyloxy)phenyl)methanone
(4ahydroxyoctahydroisoquinolin2(1H)yl)(4(pentyloxy)phenyl)methanone
11875760
1212342783
CCCCCOc1ccc(cc1)C(=O)N1CCC2(C(C1)CCCC2)O
InChI=1SC21H31NO3c123615251910817(91119)20(23)22141321(24)1254718(21)1622h8111824H271216H21H3t1821m0s1
MFCD05671829
ZINC000004073593
ZINC4073593
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