Vitas-M small molecule compound

(2E)-1-[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-(4-methoxyphenyl)prop-2-en-1-one

Catalog ID
STL537465
SMILES COc1ccc(cc1)/C=C/C(=O)N1CCC2(C(C1c1ccccc1OC)CCCC2)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 C26H31NO4 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO4/c1-30-20-13-10-19(11-14-20)12-15-24(28)27-18-17-26(29)16-6-5-8-22(26)25(27)21-7-3-4-9-23(21)31-2/h3-4,7,9-15,22,25,29H,5-6,8,16-18H2,1-2H3/b15-12+
InChIKey
GRPDIUHLLNROLW-NTCAYCPXSA-N
Synonyms

(~(E))1(4~(a)hydroxy1(2methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)3(4methoxyphenyl)prop2en1one
(2E)1(4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3(4methoxyphenyl)prop2en1one
(E)1((1R)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3(4methoxyphenyl)prop2en1one
5910224
COc1ccc(cc1)C=CC(=O)N1CCC2(C((C@@H)1c1ccccc1OC)CCCC2)O
InChI=1SC26H31NO4c13020131019(111420)121524(28)27181726(29)1665822(26)25(27)21734923(21)312h347915222529H5681618H212H3b1512+
MFCD04142784
ZINC000002153855
ZINC000504537441

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Available files

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