Vitas-M small molecule compound
3-(6-bromo-1H-indol-1-yl)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]propan-1-one
Catalog ID
STL538882
SMILES Brc1ccc2c(c1)n(CCC(=O)N1CC[C@@]3([C@H](C1)CCCC3)O)cc2
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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 C20H25BrN2O2 MW 405.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25BrN2O2/c21-17-5-4-15-6-10-22(18(15)13-17)11-7-19(24)23-12-9-20(25)8-2-1-3-16(20)14-23/h4-6,10,13,16,25H,1-3,7-9,11-12,14H2/t16-,20-/m0/s1InChIKey
RKWKQNOIHCFFKM-JXFKEZNVSA-NSynonyms
1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(6bromoindol1yl)propan1one
3(6bromo1Hindol1yl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
3(6bromo1Hindol1yl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
71754075
Brc1ccc2c(c1)n(CCC(=O)N1CCC3(C(C1)CCCC3)O)cc2
InChI=1SC20H25BrN2O2c2117541561022(18(15)1317)11719(24)2312920(25)821316(20)1423h4610131625H1379111214H2t1620m0s1
ZINC000079191392
ZINC79191392
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