Vitas-M small molecule compound

(3S,3aR,8aR,9aR)-3-(((R)-6-hydroxy-7-methoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one

Catalog ID
STL528118
SMILES COc1cc2c(cc1O)CCN([C@@H]2C)CC1C(=O)O[C@H]2[C@@H]1CC1C(=C)CCC[C@@]1(C2)C

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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 C26H35NO4 MW 425.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO4/c1-15-6-5-8-26(3)13-24-19(11-21(15)26)20(25(29)31-24)14-27-9-7-17-10-22(28)23(30-4)12-18(17)16(27)2/h10,12,16,19-21,24,28H,1,5-9,11,13-14H2,2-4H3/t16-,19-,20?,21?,24-,26-/m1/s1
InChIKey
KWBZASDHYSHVQB-SXEHGDEYSA-N
Synonyms
1212492-36-8
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((1~(R))6hydroxy7methoxy1methyl34dihydro1~(H)isoquinolin2yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((R)6hydroxy7methoxy1methyl34dihydroisoquinolin2(1H)yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212492368
16398994
COc1cc2c(cc1O)CCN((C@@H)2C)CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
InChI=1SC26H35NO4c11565826(3)132419(1121(15)26)20(25(29)3124)142797171022(28)23(304)1218(17)16(27)2h10121619212428H159111314H224H3t161920?21?2426m1s1
ZINC000006623657
ZINC000012874013

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Available files

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