Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((4-fluorophenethyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL527089
SMILES O=C1O[C@H]2[C@@H](C1CNCCc1ccc(cc1)F)CC1[C@](C2)(C)CCCC1=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 C23H30FNO2 MW 371.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H30FNO2/c1-15-4-3-10-23(2)13-21-18(12-20(15)23)19(22(26)27-21)14-25-11-9-16-5-7-17(24)8-6-16/h5-8,18-21,25H,1,3-4,9-14H2,2H3/t18-,19?,20?,21-,23-/m1/s1InChIKey
IJPCICXBQIEOKE-JIUKSFBLSA-NSynonyms
956157-45-2(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2(4fluorophenyl)ethylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((4fluorophenethyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397917
956157452
InChI=1SC23H30FNO2c115431023(2)132118(1220(15)23)19(22(26)2721)1425119165717(24)8616h58182125H134914H22H3t1819?20?2123m1s1
O=C1O(C@H)2(C@@H)(C1CNCCc1ccc(cc1)F)CC1(C@)(C2)(C)CCCC1=C
ZINC000004040460
ZINC000012661363
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