Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-benzylpiperidin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL562723
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)Cc1ccccc1)CC1=C(C)CCC[C@@]1(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 C27H37NO2 MW 407.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H37NO2/c1-19-7-6-12-27(2)17-25-22(16-24(19)27)23(26(29)30-25)18-28-13-10-21(11-14-28)15-20-8-4-3-5-9-20/h3-5,8-9,21-23,25H,6-7,10-18H2,1-2H3/t22-,23?,25-,27-/m1/s1InChIKey
AASBORAVPLVJOH-STBCPGIKSA-NSynonyms
956946-49-9(3aR8aR9aR)3((4benzylpiperidin1yl)methyl)58adimethyl33a467899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4benzylpiperidin1yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
16398319
956946499
InChI=1SC27H37NO2c119761227(2)172522(1624(19)27)23(26(29)3025)1828131021(111428)15208435920h3589212325H671018H212H3t2223?2527m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)Cc1ccccc1)CC1=C(C)CCC(C@@)1(C2)C
ZINC000004043677
ZINC000012661635
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