Vitas-M small molecule compound
(2-fluorophenyl)[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]methanone
Catalog ID
STK595394
SMILES COc1ccccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)C(=O)c1ccccc1F
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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 C23H26FNO3 MW 383.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26FNO3/c1-28-20-12-5-3-9-17(20)21-18-10-6-7-13-23(18,27)14-15-25(21)22(26)16-8-2-4-11-19(16)24/h2-5,8-9,11-12,18,21,27H,6-7,10,13-15H2,1H3/t18-,21-,23-/m0/s1InChIKey
NCKKJQCTTGWVPD-HARLFGEKSA-NSynonyms
1212136-53-2((1R4aS8aS)4ahydroxy1(2methoxyphenyl)13456788aoctahydroisoquinolin2yl)(2fluorophenyl)methanone
(2fluorophenyl)((1R4aS8aS)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)methanone
1212136532
COC1=CC=CC=C1C2C3CCCCC3(CCN2C(=O)C4=CC=CC=C4F)O
COc1ccccc1(C@@H)1N(CC(C@@)2((C@H)1CCCC2)O)C(=O)c1ccccc1F
InChI=1SC23H26FNO3c128201253917(20)211810671323(1827)141525(21)22(26)168241119(16)24h25891112182127H67101315H21H3t182123m0s1
MFCD18246019
ZINC000005322918
ZINC05322918
ZINC5322918
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