Vitas-M small molecule compound
1-(4-hydroxy-3-methoxyphenyl)-2-[(2E)-3-phenylprop-2-en-1-yl]octahydroisoquinolin-4a(2H)-ol
Catalog ID
STL178869
SMILES COc1cc(ccc1O)C1N(C/C=C/c2ccccc2)CCC2(C1CCCC2)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 C25H31NO3 MW 393.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO3/c1-29-23-18-20(12-13-22(23)27)24-21-11-5-6-14-25(21,28)15-17-26(24)16-7-10-19-8-3-2-4-9-19/h2-4,7-10,12-13,18,21,24,27-28H,5-6,11,14-17H2,1H3/b10-7+InChIKey
XOZQFEQVRDICDF-JXMROGBWSA-NSynonyms
(1R)2cinnamyl1(4hydroxy3methoxyphenyl)decahydroisoquinolin4aol
1(4hydroxy3methoxyphenyl)2((2E)3phenylprop2en1yl)octahydroisoquinolin4a(2H)ol
1(4hydroxy3methoxyphenyl)2((E)3phenylprop2enyl)13456788aoctahydroisoquinolin4aol
COC1=C(C=CC(=C1)C2C3CCCCC3(CCN2CC=CC4=CC=CC=C4)O)O
COc1cc(ccc1O)(C@@H)1N(CC=Cc2ccccc2)CCC2(C1CCCC2)O
COc1cc(ccc1O)C1N(CC=Cc2ccccc2)CCC2(C1CCCC2)O
InChI=1SC25H31NO3c129231820(121322(23)27)242111561425(2128)151726(24)16710198324919h2471012131821242728H56111417H21H3b107+
MFCD04142179
ZINC000002152644
ZINC000016042922
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