Vitas-M small molecule compound
1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(4-methoxy-1H-indol-1-yl)propan-1-one
Catalog ID
STL538780
SMILES COc1cccc2c1ccn2CCC(=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 C21H28N2O3 MW 356.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O3/c1-26-19-7-4-6-18-17(19)8-12-22(18)13-9-20(24)23-14-11-21(25)10-3-2-5-16(21)15-23/h4,6-8,12,16,25H,2-3,5,9-11,13-15H2,1H3/t16-,21-/m0/s1InChIKey
XNRHYZBAAJPOOO-KKSFZXQISA-NSynonyms
1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(4methoxyindol1yl)propan1one
1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4methoxy1Hindol1yl)propan1one
1(4ahydroxyoctahydroisoquinolin2(1H)yl)3(4methoxy1Hindol1yl)propan1one
71753705
COc1cccc2c1ccn2CCC(=O)N1CCC2(C(C1)CCCC2)O
InChI=1SC21H28N2O3c126197461817(19)81222(18)13920(24)23141121(25)1032516(21)1523h468121625H2359111315H21H3t1621m0s1
ZINC000079188880
ZINC79188880
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