Vitas-M small molecule compound
[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl](2-methoxyphenyl)methanone
Catalog ID
STL548309
SMILES COc1ccccc1C(=O)N1CC[C@@]2([C@H]([C@@H]1c1ccc3c(c1)OCO3)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 C24H27NO5 MW 409.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27NO5/c1-28-19-8-3-2-6-17(19)23(26)25-13-12-24(27)11-5-4-7-18(24)22(25)16-9-10-20-21(14-16)30-15-29-20/h2-3,6,8-10,14,18,22,27H,4-5,7,11-13,15H2,1H3/t18-,22-,24-/m0/s1InChIKey
VWDNSPWTCANNKW-OEOAZWSVSA-NSynonyms
956239-31-9((1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)(2methoxyphenyl)methanone
((1R)1(benzo(d)(13)dioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)(2methoxyphenyl)methanone
((1R4aS8aS)1(13benzodioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)(2methoxyphenyl)methanone
11875284
956239319
COc1ccccc1C(=O)N1CCC2(C((C@@H)1c1ccc3c(c1)OCO3)CCCC2)O
InChI=1SC24H27NO5c12819832617(19)23(26)25131224(27)1154718(24)22(25)169102021(1416)30152920h23681014182227H457111315H21H3t182224m0s1
MFCD06764439
ZINC000004062709
ZINC4062709
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