Vitas-M small molecule compound
1-(2,5-dimethoxyphenyl)-2-[(2E)-3-phenylprop-2-en-1-yl]octahydroisoquinolin-4a(2H)-ol
Catalog ID
STL536715
SMILES COc1ccc(c(c1)C1N(C/C=C/c2ccccc2)CCC2(C1CCCC2)O)OC
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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 C26H33NO3 MW 407.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO3/c1-29-21-13-14-24(30-2)22(19-21)25-23-12-6-7-15-26(23,28)16-18-27(25)17-8-11-20-9-4-3-5-10-20/h3-5,8-11,13-14,19,23,25,28H,6-7,12,15-18H2,1-2H3/b11-8+InChIKey
NGTYIDRNJTUKEY-DHZHZOJOSA-NSynonyms
(1R)2cinnamyl1(25dimethoxyphenyl)decahydroisoquinolin4aol
1(25dimethoxyphenyl)2((~(E))3phenylprop2enyl)13456788~(a)octahydroisoquinolin4~(a)ol
1(25dimethoxyphenyl)2((2E)3phenylprop2en1yl)octahydroisoquinolin4a(2H)ol
5924050
COc1ccc(c(c1)(C@@H)1N(CC=Cc2ccccc2)CCC2(C1CCCC2)O)OC
InChI=1SC26H33NO3c12921131424(302)22(1921)252312671526(2328)161827(25)178112094351020h35811131419232528H67121518H212H3b118+
MFCD04146985
ZINC000002108086
ZINC000016032480
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