Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((3,4-dimethoxybenzyl)amino)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL526248
SMILES COc1cc(CNCC2C(=O)O[C@H]3[C@@H]2CC2C(=C)CCC[C@@]2(C3)C)ccc1OC
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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 C24H33NO4 MW 399.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33NO4/c1-15-6-5-9-24(2)12-22-17(11-19(15)24)18(23(26)29-22)14-25-13-16-7-8-20(27-3)21(10-16)28-4/h7-8,10,17-19,22,25H,1,5-6,9,11-14H2,2-4H3/t17-,18?,19?,22-,24-/m1/s1InChIKey
UNCXCKBXOLLLTG-RIUZWQFUSA-NSynonyms
956953-33-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((34dimethoxyphenyl)methylamino)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((34dimethoxybenzyl)amino)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16397003
956953336
COc1cc(CNCC2C(=O)O(C@H)3(C@@H)2CC2C(=C)CCC(C@@)2(C3)C)ccc1OC
InChI=1SC24H33NO4c11565924(2)122217(1119(15)24)18(23(26)2922)142513167820(273)21(1016)284h781017192225H15691114H224H3t1718?19?2224m1s1
ZINC000004028529
ZINC000012659835
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