Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((4-methoxybenzyl)amino)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL553445
SMILES COc1ccc(cc1)CNCC1C(=O)O[C@H]2[C@@H]1C=C1C(=CCC[C@@]1(C2)C)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 C23H29NO3 MW 367.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29NO3/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/h5-9,11,18-19,21,24H,4,10,12-14H2,1-3H3/t18-,19?,21-,23-/m1/s1InChIKey
HSKOMYSWFSXSNI-BHAPBFLFSA-NSynonyms
956931-12-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(((4methoxyphenyl)methylamino)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3(((4methoxybenzyl)amino)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16396958
956931127
COc1ccc(cc1)CNCC1C(=O)O(C@H)2(C@@H)1C=C1C(=CCC(C@@)1(C2)C)C
InChI=1SC23H29NO3c115541023(2)122118(1120(15)23)19(22(25)2721)142413166817(263)9716h591118192124H4101214H213H3t1819?2123m1s1
ZINC000002119239
ZINC000004028461
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