Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((3,4-dimethoxybenzyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL562640
SMILES COc1cc(CNCC2C(=O)O[C@H]3[C@@H]2C=C2[C@@H](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/h7-8,10-11,15,17-18,22,25H,5-6,9,12-14H2,1-4H3/t15-,17+,18?,22+,24+/m0/s1InChIKey
MBXTZFOKNHDGBZ-SXQJNQOESA-NSynonyms
956972-17-1(3aR5S8aR9aR)3(((34dimethoxyphenyl)methylamino)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((34dimethoxybenzyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16397656
956972171
COc1cc(CNCC2C(=O)O(C@H)3(C@@H)2C=C2(C@@H)(C)CCC(C@@)2(C3)C)ccc1OC
InChI=1SC24H33NO4c11565924(2)122217(1119(15)24)18(23(26)2922)142513167820(273)21(1016)284h7810111517182225H5691214H214H3t1517+18?22+24+m0s1
MFCD32651320
ZINC000004029806
ZINC000012660842
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