Vitas-M small molecule compound
(2E)-1-[4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-[4-(propan-2-yl)phenyl]prop-2-en-1-one
Catalog ID
STL512296
SMILES COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc(cc1)C(C)C
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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 C28H35NO3 MW 433.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H35NO3/c1-20(2)22-14-11-21(12-15-22)13-16-26(30)29-19-18-28(31)17-7-6-9-24(28)27(29)23-8-4-5-10-25(23)32-3/h4-5,8,10-16,20,24,27,31H,6-7,9,17-19H2,1-3H3/b16-13+InChIKey
FPVFEIBTNZKHAV-DTQAZKPQSA-NSynonyms
(~(E))1(4~(a)hydroxy1(2methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)3(4propan2ylphenyl)prop2en1one
(2E)1(4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3(4(propan2yl)phenyl)prop2en1one
(E)1((1R)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3(4isopropylphenyl)prop2en1one
5937747
COc1ccccc1(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc(cc1)C(C)C
InChI=1SC28H35NO3c120(2)22141121(121522)131626(30)29191828(31)1776924(28)27(29)238451025(23)323h458101620242731H6791719H213H3b1613+
MFCD04145590
ZINC000002103719
ZINC000250567162
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