Vitas-M small molecule compound

3-{3-[(4aS,8aS)-4a-hydroxyoctahydroisoquinolin-2(1H)-yl]-3-oxopropyl}-4-methyl-7-[(2-methylprop-2-en-1-yl)oxy]-2H-chromen-2-one

Catalog ID
STL539910
SMILES CC(=C)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=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 C26H33NO5 MW 439.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5/c1-17(2)16-31-20-7-8-21-18(3)22(25(29)32-23(21)14-20)9-10-24(28)27-13-12-26(30)11-5-4-6-19(26)15-27/h7-8,14,19,30H,1,4-6,9-13,15-16H2,2-3H3/t19-,26-/m0/s1
InChIKey
RYTHVCARWMHCGL-SIBVEZHUSA-N
Synonyms
1574339-26-6
1574339266
3(3((4~(a)~(S)8~(a)~(S))4~(a)hydroxy13456788~(a)octahydroisoquinolin2yl)3oxopropyl)4methyl7(2methylprop2enoxy)chromen2one
3(3((4aS8aS)4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl7((2methylprop2en1yl)oxy)2Hchromen2one
3(3(4ahydroxyoctahydroisoquinolin2(1H)yl)3oxopropyl)4methyl7((2methylallyl)oxy)2Hchromen2one
71825870
CC(=C)COc1ccc2c(c1)oc(=O)c(c2C)CCC(=O)N1CCC2(C(C1)CCCC2)O
InChI=1SC26H33NO5c117(2)163120782118(3)22(25(29)3223(21)1420)91024(28)27131226(30)1154619(26)1527h78141930H1469131516H223H3t1926m0s1
ZINC000096116022
ZINC96116022

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Available files

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