Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-[4a-hydroxy-1-(4-methoxyphenyl)octahydroisoquinolin-2(1H)-yl]prop-2-en-1-one
Catalog ID
STL512303
SMILES COc1ccc(cc1)C1N(CCC2(C1CCCC2)O)C(=O)/C=C/c1ccc2c(c1)OCO2
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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 C26H29NO5 MW 435.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29NO5/c1-30-20-9-7-19(8-10-20)25-21-4-2-3-13-26(21,29)14-15-27(25)24(28)12-6-18-5-11-22-23(16-18)32-17-31-22/h5-12,16,21,25,29H,2-4,13-15,17H2,1H3/b12-6+InChIKey
XHWDMVJCCDHQOJ-WUXMJOGZSA-NSynonyms
1025251-07-3(~(E))1(4~(a)hydroxy1(4methoxyphenyl)13456788~(a)octahydroisoquinolin2yl)3(13benzodioxol5yl)prop2en1one
(2E)3(13benzodioxol5yl)1(4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)prop2en1one
(E)3(benzo(d)(13)dioxol5yl)1((1R)4ahydroxy1(4methoxyphenyl)octahydroisoquinolin2(1H)yl)prop2en1one
1025251073
6216940
COc1ccc(cc1)(C@@H)1N(CCC2(C1CCCC2)O)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC26H29NO5c130209719(81020)25214231326(2129)141527(25)24(28)126185112223(1618)32173122h51216212529H24131517H21H3b126+
MFCD04146684
ZINC000002138658
ZINC000012880499
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