Vitas-M small molecule compound
(3R,3aS,5aS,9bS)-3-((4-benzylpiperidin-1-yl)methyl)-5a,9-dimethyl-3a,4,5,5a-tetrahydronaphtho[1,2-b]furan-2,8(3H,9bH)-dione
Catalog ID
STL546153
SMILES O=C1O[C@H]2[C@H](C1CN1CCC(CC1)Cc1ccccc1)CC[C@@]1(C2=C(C)C(=O)C=C1)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 C27H33NO3 MW 419.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33NO3/c1-18-23(29)9-13-27(2)12-8-21-22(26(30)31-25(21)24(18)27)17-28-14-10-20(11-15-28)16-19-6-4-3-5-7-19/h3-7,9,13,20-22,25H,8,10-12,14-17H2,1-2H3/t21-,22?,25-,27-/m0/s1InChIKey
OEOMMWMJRTXXIW-QJIKEPAJSA-NSynonyms
956935-93-6(3~(a)~(S)5~(a)~(S)9~(b)~(S))3((4benzylpiperidin1yl)methyl)5~(a)9dimethyl3~(a)459~(b)tetrahydro3~(H)benzo(g)(1)benzofuran28dione
(3AS5AS9BS)3(4BENZYLPIPERIDIN1YLMETHYL)5A9DIMETHYL3A55A9BTETRAHYDRO3H4HNAPHTHO(12B)FURAN28DIONE
(3R3aS5aS9bS)3((4benzylpiperidin1yl)methyl)5a9dimethyl3a455atetrahydronaphtho(12b)furan28(3H9bH)dione
16396380
956935936
InChI=1SC27H33NO3c11823(29)91327(2)1282122(26(30)3125(21)24(18)27)1728141020(111528)16196435719h37913202225H810121417H212H3t2122?2527m0s1
O=C1O(C@H)2(C@H)(C1CN1CCC(CC1)Cc1ccccc1)CC(C@@)1(C2=C(C)C(=O)C=C1)C
ZINC000004027280
ZINC000012658168
Check stock
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