Vitas-M small molecule compound
(2E)-1-[(1R,4aS,8aS)-1-(1,3-benzodioxol-5-yl)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Catalog ID
STL532363
SMILES COc1cc(/C=C/C(=O)N2CC[C@@]3([C@H]([C@@H]2c2ccc4c(c2)OCO4)CCCC3)O)cc(c1OC)OC
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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 C28H33NO7 MW 495.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33NO7/c1-32-23-14-18(15-24(33-2)27(23)34-3)7-10-25(30)29-13-12-28(31)11-5-4-6-20(28)26(29)19-8-9-21-22(16-19)36-17-35-21/h7-10,14-16,20,26,31H,4-6,11-13,17H2,1-3H3/b10-7+/t20-,26-,28-/m0/s1InChIKey
HVOLBQUGFVRMJR-QQJVPVJQSA-NSynonyms
956158-17-1(~(E))1((1~(R)4~(a)~(S)8~(a)~(S))1(13benzodioxol5yl)4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3(345trimethoxyphenyl)prop2en1one
(2E)1((1R4aS8aS)1(13benzodioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(345trimethoxyphenyl)prop2en1one
(E)1((1R)1(benzo(d)(13)dioxol5yl)4ahydroxyoctahydroisoquinolin2(1H)yl)3(345trimethoxyphenyl)prop2en1one
16399565
956158171
COc1cc(C=CC(=O)N2CCC3(C((C@@H)2c2ccc4c(c2)OCO4)CCCC3)O)cc(c1OC)OC
InChI=1SC28H33NO7c132231418(1524(332)27(23)343)71025(30)29131228(31)1154620(28)26(29)19892122(1619)36173521h7101416202631H46111317H213H3b107+t202628m0s1
MFCD06764440
ZINC000008917802
ZINC8917802
Check stock
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