Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((2-(furan-2-ylmethyl)cyclohexyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL562436
SMILES O=C1O[C@H]2[C@@H](C1CNC1CCCCC1Cc1ccco1)C=C1[C@](C2)(C)CCC[C@@H]1C
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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 C26H37NO3 MW 411.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H37NO3/c1-17-7-5-11-26(2)15-24-20(14-22(17)26)21(25(28)30-24)16-27-23-10-4-3-8-18(23)13-19-9-6-12-29-19/h6,9,12,14,17-18,20-21,23-24,27H,3-5,7-8,10-11,13,15-16H2,1-2H3/t17-,18?,20+,21?,23?,24+,26+/m0/s1InChIKey
YEXCLAFCAHCLGV-PGLAXPNQSA-NSynonyms
1212457-21-0(3aR5S8aR9aR)3(((2(furan2ylmethyl)cyclohexyl)amino)methyl)58adimethyl33a567899aoctahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((2(furan2ylmethyl)cyclohexyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
1212457210
16397102
InChI=1SC26H37NO3c117751126(2)152420(1422(17)26)21(25(28)3024)1627231043818(23)131996122919h69121417182021232427H35781011131516H212H3t1718?20+21?23?24+26+m0s1
MFCD32651258
O=C1O(C@H)2(C@@H)(C1CNC1CCCCC1Cc1ccco1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000004028644
ZINC000004028647
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