Vitas-M small molecule compound
3-(5-bromo-1H-indol-1-yl)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]propan-1-one
Catalog ID
STL539801
SMILES Brc1ccc2c(c1)ccn2CCC(=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 C20H25BrN2O2 MW 405.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25BrN2O2/c21-17-4-5-18-15(13-17)6-10-22(18)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
BWDPTYLFMJMUHW-JXFKEZNVSA-NSynonyms
1442076-39-21((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(5bromoindol1yl)propan1one
1442076392
3(5bromo1Hindol1yl)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
3(5bromo1Hindol1yl)1(4ahydroxyoctahydroisoquinolin2(1H)yl)propan1one
71753950
Brc1ccc2c(c1)ccn2CCC(=O)N1CCC2(C(C1)CCCC2)O
InChI=1SC20H25BrN2O2c2117451815(1317)61022(18)11719(24)2312920(25)821316(20)1423h4610131625H1379111214H2t1620m0s1
ZINC000079190544
ZINC79190544
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