Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-3-(((S)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL526686
SMILES COc1cc2CCN([C@H](c2cc1OC)C)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCC[C@]21OC2
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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 C27H37NO5 MW 455.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5/c1-16-18-11-22(31-4)21(30-3)10-17(18)6-9-28(16)14-20-19-12-24-26(2,13-23(19)33-25(20)29)7-5-8-27(24)15-32-27/h10-11,16,19-20,23-24H,5-9,12-15H2,1-4H3/t16-,19+,20?,23+,24?,26+,27-/m0/s1InChIKey
UCSAOIGRLWQSRE-RRPZAKBXSA-NSynonyms
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3(((1~(S))67dimethoxy1methyl34dihydro1~(H)isoquinolin2yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3(((S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
132286101
COc1cc2CCN((C@H)(c2cc1OC)C)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC27H37NO5c116181122(314)21(303)1017(18)6928(16)142019122426(21323(19)3325(20)29)75827(24)153227h10111619202324H591215H214H3t1619+20?23+24?26+27m0s1
MFCD32649844
ZINC000008952762
ZINC000229992953
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