Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((4-methoxybenzyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL527690
SMILES COc1ccc(cc1)CNCC1C(=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 C23H31NO3 MW 369.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO3/c1-15-5-4-10-23(2)12-21-18(11-20(15)23)19(22(25)27-21)14-24-13-16-6-8-17(26-3)9-7-16/h6-9,18-21,24H,1,4-5,10-14H2,2-3H3/t18-,19?,20?,21-,23-/m1/s1InChIKey
ITHDPGAXOGNXMB-JIUKSFBLSA-NSynonyms
956973-36-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((4methoxyphenyl)methylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((4methoxybenzyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16398040
956973367
COc1ccc(cc1)CNCC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
InChI=1SC23H31NO3c115541023(2)122118(1120(15)23)19(22(25)2721)142413166817(263)9716h69182124H1451014H223H3t1819?20?2123m1s1
ZINC000004041531
ZINC000012661437
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