Vitas-M small molecule compound
(3S,3aR,4aS,8aR,9aR)-3-((4-benzylpiperidin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL564442
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)Cc1ccccc1)C[C@@H]1[C@](C2)(C)CCCC1=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/h3-5,8-9,21-25H,1,6-7,10-18H2,2H3/t22-,23?,24+,25-,27-/m1/s1InChIKey
KRIJJJPVKTUTFZ-MVRVLGECSA-NSynonyms
308837-43-6(3aR4aS8aR9aR)3((4benzylpiperidin1yl)methyl)8amethyl5methylidene3a44a67899aoctahydro3Hbenzo(f)(1)benzofuran2one
(3S3aR4aS8aR9aR)3((4benzylpiperidin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16395022
308837436
InChI=1SC27H37NO2c119761227(2)172522(1624(19)27)23(26(29)3025)1828131021(111428)15208435920h35892125H1671018H22H3t2223?24+2527m1s1
MFCD32651472
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)Cc1ccccc1)C(C@@H)1(C@)(C2)(C)CCCC1=C
ZINC000004023044
ZINC000012652351
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