Vitas-M small molecule compound
(1R,4aS,8aS)-2-(3-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Catalog ID
STK583345
SMILES COc1cc(ccc1O)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)Cc1cccc(c1)F
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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 C23H28FNO3 MW 385.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28FNO3/c1-28-21-14-17(8-9-20(21)26)22-19-7-2-3-10-23(19,27)11-12-25(22)15-16-5-4-6-18(24)13-16/h4-6,8-9,13-14,19,22,26-27H,2-3,7,10-12,15H2,1H3/t19-,22-,23-/m0/s1InChIKey
MEGDBMAHHNSLRU-VJBMBRPKSA-NSynonyms
1212481-34-9(1R4aS8aS)2((3fluorophenyl)methyl)1(4hydroxy3methoxyphenyl)13456788aoctahydroisoquinolin4aol
(1R4aS8aS)2(3fluorobenzyl)1(4hydroxy3methoxyphenyl)decahydroisoquinolin4aol
(1R4aS8aS)2(3fluorobenzyl)1(4hydroxy3methoxyphenyl)octahydroisoquinolin4a(2H)ol
1212481349
COC1=C(C=CC(=C1)C2C3CCCCC3(CCN2CC4=CC(=CC=C4)F)O)O
COc1cc(ccc1O)(C@@H)1N(CC(C@@)2((C@H)1CCCC2)O)Cc1cccc(c1)F
InChI=1SC23H28FNO3c128211417(8920(21)26)22197231023(1927)111225(22)151654618(24)1316h4689131419222627H237101215H21H3t192223m0s1
MFCD18245718
ZINC000005419383
ZINC5419383
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