Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-benzylpiperidin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL525281
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(CC1)Cc1ccccc1)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 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/h3-5,8-9,16,19,21-23,25H,6-7,10-15,17-18H2,1-2H3/t19-,22+,23?,25+,27+/m0/s1InChIKey
UQMJNEBBJGQUEV-YLSWGDEJSA-NSynonyms
956932-41-5(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4benzylpiperidin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4benzylpiperidin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16398156
956932415
InChI=1SC27H37NO2c119761227(2)172522(1624(19)27)23(26(29)3025)1828131021(111428)15208435920h35891619212325H6710151718H212H3t1922+23?25+27+m0s1
MFCD32649797
O=C1O(C@H)2(C@@H)(C1CN1CCC(CC1)Cc1ccccc1)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000004042279
ZINC000012661538
Check stock
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Check stock on Vitas-MAvailable files
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