Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((4-methoxybenzyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL526444
SMILES COc1ccc(cc1)CNCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](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/h6-9,11,15,18-19,21,24H,4-5,10,12-14H2,1-3H3/t15-,18+,19?,21+,23+/m0/s1InChIKey
TYAVZDOMPJDABU-STQQWSKCSA-NSynonyms
957045-33-9(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3(((4methoxyphenyl)methylamino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((4methoxybenzyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16396920
957045339
COc1ccc(cc1)CNCC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
InChI=1SC23H31NO3c115541023(2)122118(1120(15)23)19(22(25)2721)142413166817(263)9716h69111518192124H45101214H213H3t1518+19?21+23+m0s1
MFCD32649833
ZINC000004028393
ZINC000012659707
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