Vitas-M small molecule compound
[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](furan-2-yl)methanone
Catalog ID
STL547751
SMILES COc1ccc(cc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)c1ccco1)OC
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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 C22H27NO5 MW 385.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27NO5/c1-26-15-8-9-18(27-2)16(14-15)20-17-6-3-4-10-22(17,25)11-12-23(20)21(24)19-7-5-13-28-19/h5,7-9,13-14,17,20,25H,3-4,6,10-12H2,1-2H3/t17-,20-,22-/m0/s1InChIKey
DZBUYJGHEJWNPI-XJABCFGWSA-NSynonyms
956351-47-6((1~(R)4~(a)~(S)8~(a)~(S))1(25dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)(furan2yl)methanone
((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(furan2yl)methanone
((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(furan2yl)methanone
7086828
956351476
COc1ccc(cc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)c1ccco1)OC
InChI=1SC22H27NO5c126158918(272)16(1415)20176341022(1725)111223(20)21(24)1975132819h5791314172025H3461012H212H3t172022m0s1
MFCD06764363
ZINC000004061864
ZINC4061864
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