Vitas-M small molecule compound
(2E)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
Catalog ID
STL512304
SMILES COc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccccc1
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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 C25H29NO3 MW 391.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29NO3/c1-29-21-13-11-20(12-14-21)24-22-9-5-6-16-25(22,28)17-18-26(24)23(27)15-10-19-7-3-2-4-8-19/h2-4,7-8,10-15,22,24,28H,5-6,9,16-18H2,1H3/b15-10+InChIKey
UOGVUQZHAFLJIR-XNTDXEJSSA-NSynonyms
1008934-77-7(~(E))1(4~(a)hydroxy1(4methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)3phenylprop2en1one
(2E)1(4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)3phenylprop2en1one
(E)1((1R)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)3phenylprop2en1one
1008934777
6216714
COc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccccc1
InChI=1SC25H29NO3c12921131120(121421)24229561625(2228)171826(24)23(27)1510197324819h24781015222428H5691618H21H3b1510+
MFCD04144356
ZINC000004083471
ZINC000012877938
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