Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-8a-methyl-5-methylene-3-(((pyridin-4-ylmethyl)amino)methyl)decahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL548478
SMILES O=C1O[C@H]2[C@@H](C1CNCc1ccncc1)C[C@@H]1[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 C21H28N2O2 MW 340.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N2O2/c1-14-4-3-7-21(2)11-19-16(10-18(14)21)17(20(24)25-19)13-23-12-15-5-8-22-9-6-15/h5-6,8-9,16-19,23H,1,3-4,7,10-13H2,2H3/t16-,17?,18+,19-,21-/m1/s1InChIKey
WOKZYNDYKZBGGS-XNACDDMESA-NSynonyms
956944-41-5(3~(a)~(R)4~(a)~(S)8~(a)~(R)9~(a)~(R))8~(a)methyl5methylidene3((pyridin4ylmethylamino)methyl)3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)8amethyl5methylene3(((pyridin4ylmethyl)amino)methyl)decahydronaphtho(23b)furan2(3H)one
16400696
956944415
InChI=1SC21H28N2O2c11443721(2)111916(1018(14)21)17(20(24)2519)1323121558229615h5689161923H13471013H22H3t1617?18+1921m1s1
MFCD32650052
O=C1O(C@H)2(C@@H)(C1CNCc1ccncc1)C(C@@H)1(C@)(C2)(C)CCCC1=C
ZINC000004000002
ZINC000012664260
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