Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(2,4-dimethylphenyl)piperazin-1-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL541651
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1ccc(cc1C)C)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 C27H38N2O2 MW 422.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O2/c1-18-7-8-24(20(3)14-18)29-12-10-28(11-13-29)17-22-21-15-23-19(2)6-5-9-27(23,4)16-25(21)31-26(22)30/h7-8,14,21-22,25H,5-6,9-13,15-17H2,1-4H3/t21-,22?,25-,27-/m1/s1InChIKey
BWCTVXUSZPGGAC-NSFLQCRRSA-NSynonyms
957001-13-7(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(24dimethylphenyl)piperazin1yl)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(24dimethylphenyl)piperazin1yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
16400343
957001137
InChI=1SC27H38N2O2c1187824(20(3)1418)29121028(111329)172221152319(2)65927(234)1625(21)3126(22)30h7814212225H569131517H214H3t2122?2527m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1ccc(cc1C)C)CC1=C(C)CCC(C@@)1(C2)C
ZINC000059415249
ZINC000061997589
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