Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-(((S)-6,7-dimethoxy-1-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
STL566243
SMILES COc1cc2c(cc1OC)CCN([C@H]2C)CC1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C(=CCC[C@H]1C)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 C27H37NO5 MW 455.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO5/c1-15-7-6-8-18-12-23-24(25(29)27(15,18)3)20(26(30)33-23)14-28-10-9-17-11-21(31-4)22(32-5)13-19(17)16(28)2/h8,11,13,15-16,20,23-25,29H,6-7,9-10,12,14H2,1-5H3/t15-,16-,20?,23+,24+,25-,27+/m0/s1InChIKey
KVFNXTACKHFLKO-OIAJIANJSA-NSynonyms
1212476-57-7(3aS4S4aR5S9aR)3(((1S)67dimethoxy1methyl34dihydro1Hisoquinolin2yl)methyl)4hydroxy4a5dimethyl33a456799aoctahydrobenzo(f)(1)benzofuran2one
(3S3aS4S4aR5S9aR)3(((S)67dimethoxy1methyl34dihydroisoquinolin2(1H)yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212476577
131665215
COc1cc2c(cc1OC)CCN((C@H)2C)CC1C(=O)O(C@H)2(C@@H)1(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
InChI=1SC27H37NO5c11576818122324(25(29)27(1518)3)20(26(30)3323)1428109171121(314)22(325)1319(17)16(28)2h81113151620232529H679101214H215H3t151620?23+24+2527+m0s1
MFCD32651867
ZINC000008762943
ZINC000049586688
Check stock
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