Vitas-M small molecule compound
1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(1H-indol-1-yl)propan-1-one
Catalog ID
STL539051
SMILES O=C(N1CC[C@@]2([C@H](C1)CCCC2)O)CCn1ccc2c1cccc2
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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 C20H26N2O2 MW 326.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N2O2/c23-19(9-13-21-12-8-16-5-1-2-7-18(16)21)22-14-11-20(24)10-4-3-6-17(20)15-22/h1-2,5,7-8,12,17,24H,3-4,6,9-11,13-15H2/t17-,20-/m0/s1InChIKey
ZDGMSGBQLUHYBC-PXNSSMCTSA-NSynonyms
1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3indol1ylpropan1one
1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)3(1Hindol1yl)propan1one
1(4ahydroxyoctahydroisoquinolin2(1H)yl)3(1Hindol1yl)propan1one
71754039
InChI=1SC20H26N2O2c2319(9132112816512718(16)21)22141120(24)1043617(20)1522h12578121724H3469111315H2t1720m0s1
O=C(N1CCC2(C(C1)CCCC2)O)CCn1ccc2c1cccc2
ZINC000079191112
ZINC79191112
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