Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((6,7-dimethoxy-3-methyl-3,4-dihydroisoquinolin-2(1H)-yl)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL531347
SMILES COc1cc2CN(CC3C(=O)O[C@H]4[C@@H]3[C@H](O)[C@]3(C(=CCC[C@H]3C)C4)C)C(Cc2cc1OC)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 C27H37NO5 MW 455.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5/c1-15-7-6-8-19-12-23-24(25(29)27(15,19)3)20(26(30)33-23)14-28-13-18-11-22(32-5)21(31-4)10-17(18)9-16(28)2/h8,10-11,15-16,20,23-25,29H,6-7,9,12-14H2,1-5H3/t15-,16?,20?,23+,24+,25-,27+/m0/s1InChIKey
HEAXKDZPAXOEMH-NJGWVXLBSA-NSynonyms
1212437-31-4(3S3aS4S4aR5S9aR)3((67dimethoxy3methyl34dihydroisoquinolin2(1H)yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212437314
COc1cc2CN(CC3C(=O)O(C@H)4(C@@H)3(C@H)(O)(C@)3(C(=CCC(C@@H)3C)C4)C)C(Cc2cc1OC)C
InChI=1SC27H37NO5c11576819122324(25(29)27(1519)3)20(26(30)3323)142813181122(325)21(314)1017(18)916(28)2h81011151620232529H6791214H215H3t1516?20?23+24+2527+m0s1
MFCD32649927
ZINC000002098238
ZINC000105371798
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