Vitas-M small molecule compound
(1R,4aS,8aS)-1-(4-methoxyphenyl)-2-[(2E)-3-phenylprop-2-en-1-yl]octahydroisoquinolin-4a(2H)-ol
Catalog ID
STL547970
SMILES COc1ccc(cc1)[C@@H]1N(C/C=C/c2ccccc2)CC[C@@]2([C@H]1CCCC2)O
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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 C25H31NO2 MW 377.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO2/c1-28-22-14-12-21(13-15-22)24-23-11-5-6-16-25(23,27)17-19-26(24)18-7-10-20-8-3-2-4-9-20/h2-4,7-10,12-15,23-24,27H,5-6,11,16-19H2,1H3/b10-7+/t23-,24-,25-/m0/s1InChIKey
ZQETVXUYNZWBDD-NJPCBVKTSA-NSynonyms
956807-84-4(1~(R)4~(a)~(S)8~(a)~(S))1(4methoxyphenyl)2((~(E))3phenylprop2enyl)13456788~(a)octahydroisoquinolin4~(a)ol
(1R)2cinnamyl1(4methoxyphenyl)decahydroisoquinolin4aol
(1R4aS8aS)1(4methoxyphenyl)2((2E)3phenylprop2en1yl)octahydroisoquinolin4a(2H)ol
7088152
956807844
COc1ccc(cc1)(C@@H)1N(CC=Cc2ccccc2)CCC2(C1CCCC2)O
InChI=1SC25H31NO2c12822141221(131522)242311561625(2327)171926(24)18710208324920h247101215232427H56111619H21H3b107+t232425m0s1
MFCD06764532
ZINC000004064366
ZINC4064366
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