Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL533990
SMILES COc1cc2CCN(Cc2cc1OC)CC1C(=O)O[C@H]2[C@@H]1CC1[C@](C2)(C)CCCC21OC2
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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 C26H35NO5 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35NO5/c1-25-6-4-7-26(15-31-26)23(25)11-18-19(24(28)32-22(18)12-25)14-27-8-5-16-9-20(29-2)21(30-3)10-17(16)13-27/h9-10,18-19,22-23H,4-8,11-15H2,1-3H3/t18-,19?,22-,23?,25-,26?/m1/s1InChIKey
RVNNKVFSKICXBT-YBGIXXDCSA-NSynonyms
1212452-89-5(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((67dimethoxy34dihydro1~(H)isoquinolin2yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3((67dimethoxy34dihydroisoquinolin2(1H)yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212452895
16404825
COc1cc2CCN(Cc2cc1OC)CC1C(=O)O(C@H)2(C@@H)1CC1(C@)(C2)(C)CCCC21OC2
InChI=1SC26H35NO5c12564726(153126)23(25)111819(24(28)3222(18)1225)14278516920(292)21(303)1017(16)1327h91018192223H481115H213H3t1819?2223?2526?m1s1
ZINC000012885202
ZINC000105381577
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