Vitas-M small molecule compound
(2'R,3S,3aR,8aR,9aR)-3-((4-(2,3-dimethylphenyl)piperazin-1-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one hydrochloride
Catalog ID
STL526903
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)c1cccc(c1C)C)CC1[C@](C2)(C)CCC[C@]21OC2
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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 C27H38N2O3 MW 438.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H38N2O3/c1-18-6-4-7-22(19(18)2)29-12-10-28(11-13-29)16-21-20-14-24-26(3,15-23(20)32-25(21)30)8-5-9-27(24)17-31-27/h4,6-7,20-21,23-24H,5,8-17H2,1-3H3/t20-,21?,23-,24?,26-,27+/m1/s1InChIKey
SHJTXECRFVESAK-MTWJCBQKSA-NSynonyms
(2R3S3aR8aR9aR)3((4(23dimethylphenyl)piperazin1yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2onehydrochloride
(3~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((4(23dimethylphenyl)piperazin1yl)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16397616
InChI=1SC27H38N2O3c11864722(19(18)2)29121028(111329)162120142426(31523(20)3225(21)30)85927(24)173127h46720212324H5817H213H3t2021?2324?2627+m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)c1cccc(c1C)C)CC1(C@)(C2)(C)CCC(C@)21OC2Cl
ZINC000059410086
ZINC000061992907
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