Vitas-M small molecule compound
(1R,4aS,8aS)-1-(4-hydroxy-3-methoxyphenyl)-2-(4-methylbenzyl)octahydroisoquinolin-4a(2H)-ol
Catalog ID
STL533272
SMILES COc1cc(ccc1O)[C@@H]1N(CC[C@@]2([C@H]1CCCC2)O)Cc1ccc(cc1)C
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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 C24H31NO3 MW 381.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO3/c1-17-6-8-18(9-7-17)16-25-14-13-24(27)12-4-3-5-20(24)23(25)19-10-11-21(26)22(15-19)28-2/h6-11,15,20,23,26-27H,3-5,12-14,16H2,1-2H3/t20-,23-,24-/m0/s1InChIKey
ZPRXFOYSQXJVFF-OYDLWJJNSA-NSynonyms
956238-19-0(1~(R)4~(a)~(S)8~(a)~(S))1(4hydroxy3methoxyphenyl)2((4methylphenyl)methyl)13456788~(a)octahydroisoquinolin4~(a)ol
(1R)1(4hydroxy3methoxyphenyl)2(4methylbenzyl)decahydroisoquinolin4aol
(1R4aS8aS)1(4hydroxy3methoxyphenyl)2(4methylbenzyl)octahydroisoquinolin4a(2H)ol
11875027
956238190
COc1cc(ccc1O)(C@@H)1N(CCC2(C1CCCC2)O)Cc1ccc(cc1)C
InChI=1SC24H31NO3c1176818(9717)1625141324(27)1243520(24)23(25)19101121(26)22(1519)282h6111520232627H35121416H212H3t202324m0s1
MFCD06764298
ZINC000004047279
ZINC4047279
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