Vitas-M small molecule compound
(1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(4-hydroxy-3-methoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Catalog ID
STK573287
SMILES COc1cc(ccc1O)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)Cc1ccccc1F
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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/c1-28-21-14-16(9-10-20(21)26)22-18-7-4-5-11-23(18,27)12-13-25(22)15-17-6-2-3-8-19(17)24/h2-3,6,8-10,14,18,22,26-27H,4-5,7,11-13,15H2,1H3/t18-,22-,23-/m0/s1InChIKey
NAGZFNUFYITIPH-TZYHBYERSA-NSynonyms
958845-93-7(1R4aS8aS)2((2fluorophenyl)methyl)1(4hydroxy3methoxyphenyl)13456788aoctahydroisoquinolin4aol
(1R4aS8aS)2(2fluorobenzyl)1(4hydroxy3methoxyphenyl)decahydroisoquinolin4aol
(1R4aS8aS)2(2fluorobenzyl)1(4hydroxy3methoxyphenyl)octahydroisoquinolin4a(2H)ol
958845937
COC1=C(C=CC(=C1)C2C3CCCCC3(CCN2CC4=CC=CC=C4F)O)O
COc1cc(ccc1O)(C@@H)1N(CC(C@@)2((C@H)1CCCC2)O)Cc1ccccc1F
InChI=1SC23H28FNO3c128211416(91020(21)26)22187451123(1827)121325(22)1517623819(17)24h2368101418222627H457111315H21H3t182223m0s1
MFCD18245469
ZINC000004295182
ZINC4295182
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