Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL531422
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(=CC1)c1ccc(cc1)Cl)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 C26H32ClNO2 MW 426.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32ClNO2/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/h5-9,14,17,21-22,24H,3-4,10-13,15-16H2,1-2H3/t17-,21+,22?,24+,26+/m0/s1InChIKey
BJCHICZXAWGDFL-OLBPFRQESA-NSynonyms
956967-43-4(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4(4chlorophenyl)36dihydro2~(H)pyridin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4(4chlorophenyl)56dihydropyridin1(2H)yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16404612
956967434
InChI=1SC26H32ClNO2c117431126(2)152421(1423(17)26)22(25(29)3024)162812919(101328)185720(27)8618h591417212224H3410131516H212H3t1721+22?24+26+m0s1
MFCD32649929
O=C1O(C@H)2(C@@H)(C1CN1CCC(=CC1)c1ccc(cc1)Cl)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000004085535
ZINC000012884539
Check stock
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