Vitas-M small molecule compound
1-[(1R,4aS,8aS)-1-(3,4-dimethoxyphenyl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-2-phenylethanone
Catalog ID
STL548049
SMILES COc1cc(ccc1OC)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)Cc1ccccc1
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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 C25H31NO4 MW 409.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO4/c1-29-21-12-11-19(17-22(21)30-2)24-20-10-6-7-13-25(20,28)14-15-26(24)23(27)16-18-8-4-3-5-9-18/h3-5,8-9,11-12,17,20,24,28H,6-7,10,13-16H2,1-2H3/t20-,24-,25-/m0/s1InChIKey
PMVHIOWBLFDRLG-OPXMRZJTSA-NSynonyms
956630-42-51((1~(R)4~(a)~(S)8~(a)~(S))1(34dimethoxyphenyl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)2phenylethanone
1((1R)1(34dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2phenylethanone
1((1R4aS8aS)1(34dimethoxyphenyl)4ahydroxyoctahydroisoquinolin2(1H)yl)2phenylethanone
7086238
956630425
COc1cc(ccc1OC)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)Cc1ccccc1
InChI=1SC25H31NO4c12921121119(1722(21)302)242010671325(2028)141526(24)23(27)16188435918h3589111217202428H67101316H212H3t202425m0s1
MFCD06764326
ZINC000004061058
ZINC4061058
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