Vitas-M small molecule compound
(2E)-1-[(1R,4aS,8aS)-4a-hydroxy-1-(2-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]-3-phenylprop-2-en-1-one
Catalog ID
STL549084
SMILES COc1ccccc1[C@@H]1N(CC[C@@]2([C@H]1CCCC2)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/c1-29-22-13-6-5-11-20(22)24-21-12-7-8-16-25(21,28)17-18-26(24)23(27)15-14-19-9-3-2-4-10-19/h2-6,9-11,13-15,21,24,28H,7-8,12,16-18H2,1H3/b15-14+/t21-,24-,25-/m0/s1InChIKey
FWOFSGVAIHDXDD-YNGNSYOXSA-NSynonyms
(~(E))1((1~(R)4~(a)~(S)8~(a)~(S))4~(a)hydroxy1(2methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)3phenylprop2en1one
(2E)1((1R4aS8aS)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3phenylprop2en1one
(E)1((1S)4ahydroxy1(2methoxyphenyl)octahydroisoquinolin2(1H)yl)3phenylprop2en1one
7092816
COc1ccccc1C1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccccc1
InChI=1SC25H29NO3c1292213651120(22)242112781625(2128)171826(24)23(27)15141993241019h269111315212428H78121618H21H3b1514+t212425m0s1
MFCD05676016
ZINC000004081898
ZINC4081898
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