Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-benzoylpiperidin-1-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
STL532109
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)C(=O)c1ccccc1)[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 C27H35NO4 MW 437.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO4/c1-17-7-6-10-20-15-22-23(25(30)27(17,20)2)21(26(31)32-22)16-28-13-11-19(12-14-28)24(29)18-8-4-3-5-9-18/h3-5,8-10,17,19,21-23,25,30H,6-7,11-16H2,1-2H3/t17-,21?,22+,23+,25-,27+/m0/s1InChIKey
ATJMZTVSABUEJR-ZOAQWFOOSA-NSynonyms
1214624-76-6(3S3aS4S4aR5S9aR)3((4benzoylpiperidin1yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1214624766
InChI=1SC27H35NO4c117761020152223(25(30)27(1720)2)21(26(31)3222)1628131119(121428)24(29)188435918h35810171921232530H671116H212H3t1721?22+23+2527+m0s1
MFCD32649936
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)C(=O)c1ccccc1)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000002108018
ZINC000036369558
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