Vitas-M small molecule compound
[(1R,4aS,8aS)-1-(2,5-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](phenyl)methanone
Catalog ID
STL545966
SMILES COc1ccc(c(c1)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)c1ccccc1)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 C24H29NO4 MW 395.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29NO4/c1-28-18-11-12-21(29-2)19(16-18)22-20-10-6-7-13-24(20,27)14-15-25(22)23(26)17-8-4-3-5-9-17/h3-5,8-9,11-12,16,20,22,27H,6-7,10,13-15H2,1-2H3/t20-,22-,24-/m0/s1InChIKey
PCHQBDVPZMJVCC-SSPYTLHUSA-NSynonyms
956351-31-8((1~(R)4~(a)~(S)8~(a)~(S))1(25dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)phenylmethanone
((1R)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(phenyl)methanone
((1R4aS8aS)1(25dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)(phenyl)methanone
7086471
956351318
COc1ccc(c(c1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)c1ccccc1)OC
InChI=1SC24H29NO4c12818111221(292)19(1618)222010671324(2027)141525(22)23(26)178435917h3589111216202227H67101315H212H3t202224m0s1
MFCD06764353
ZINC000004061583
ZINC4061583
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