Vitas-M small molecule compound
(2E)-1-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(4-methylphenyl)prop-2-en-1-one
Catalog ID
STL511395
SMILES Cc1ccc(cc1)/C=C/C(=O)N1CC[C@@]2([C@H](C1)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 C19H25NO2 MW 299.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H25NO2/c1-15-5-7-16(8-6-15)9-10-18(21)20-13-12-19(22)11-3-2-4-17(19)14-20/h5-10,17,22H,2-4,11-14H2,1H3/b10-9+/t17-,19-/m0/s1InChIKey
JJRVLKZZWCCNFP-TXLWSROUSA-NSynonyms
(~(E))1((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(4methylphenyl)prop2en1one
(2E)1((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)3(4methylphenyl)prop2en1one
(E)1(4ahydroxyoctahydroisoquinolin2(1H)yl)3(ptolyl)prop2en1one
7969108
Cc1ccc(cc1)C=CC(=O)N1CCC2(C(C1)CCCC2)O
InChI=1SC19H25NO2c1155716(8615)91018(21)20131219(22)1132417(19)1420h5101722H241114H21H3b109+t1719m0s1
MFCD05670826
ZINC000004073116
ZINC4073116
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