Vitas-M small molecule compound
(1R,4aS,8aS)-2-(2-fluorobenzyl)-1-(3,4,5-trimethoxyphenyl)octahydroisoquinolin-4a(2H)-ol
Catalog ID
STK573903
SMILES COc1cc(cc(c1OC)OC)[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 C25H32FNO4 MW 429.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32FNO4/c1-29-21-14-18(15-22(30-2)24(21)31-3)23-19-9-6-7-11-25(19,28)12-13-27(23)16-17-8-4-5-10-20(17)26/h4-5,8,10,14-15,19,23,28H,6-7,9,11-13,16H2,1-3H3/t19-,23-,25-/m0/s1InChIKey
QTUQIDXTWFXHJM-QXWFJRNPSA-NSynonyms
1212426-35-1(1R4aS8aS)2((2fluorophenyl)methyl)1(345trimethoxyphenyl)13456788aoctahydroisoquinolin4aol
(1R4aS8aS)2(2fluorobenzyl)1(345trimethoxyphenyl)decahydroisoquinolin4aol
(1R4aS8aS)2(2fluorobenzyl)1(345trimethoxyphenyl)octahydroisoquinolin4a(2H)ol
1212426351
COC1=CC(=CC(=C1OC)OC)C2C3CCCCC3(CCN2CC4=CC=CC=C4F)O
COc1cc(cc(c1OC)OC)(C@@H)1N(CC(C@@)2((C@H)1CCCC2)O)Cc1ccccc1F
InChI=1SC25H32FNO4c129211418(1522(302)24(21)313)23199671125(1928)121327(23)16178451020(17)26h458101415192328H679111316H213H3t192325m0s1
MFCD18245494
ZINC000005390560
ZINC5390560
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