Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(4-fluorophenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-5,8a-dimethyl-3a,4,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL548794
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(=CC1)c1ccc(cc1)F)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 C26H32FNO2 MW 409.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32FNO2/c1-17-4-3-11-26(2)15-24-21(14-23(17)26)22(25(29)30-24)16-28-12-9-19(10-13-28)18-5-7-20(27)8-6-18/h5-9,21-22,24H,3-4,10-16H2,1-2H3/t21-,22?,24-,26-/m1/s1InChIKey
IZOZKBXFTWQRFR-VSYJZPKMSA-NSynonyms
957044-33-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(4fluorophenyl)36dihydro2~(H)pyridin1yl)methyl)58~(a)dimethyl33~(a)467899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(4fluorophenyl)56dihydropyridin1(2H)yl)methyl)58adimethyl3a46788a99aoctahydronaphtho(23b)furan2(3H)one
16400593
957044336
InChI=1SC26H32FNO2c117431126(2)152421(1423(17)26)22(25(29)3024)162812919(101328)185720(27)8618h59212224H341016H212H3t2122?2426m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCC(=CC1)c1ccc(cc1)F)CC1=C(C)CCC(C@@)1(C2)C
ZINC000004073532
ZINC000012865231
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