Vitas-M small molecule compound
(3S,3aS,4S,4aR,5S,9aR)-3-((4-(4-chlorophenyl)-5,6-dihydropyridin-1(2H)-yl)methyl)-4-hydroxy-4a,5-dimethyl-3a,4,4a,5,6,7,9,9a-octahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL532896
SMILES O=C1O[C@H]2[C@@H](C1CN1CCC(=CC1)c1ccc(cc1)Cl)[C@H](O)[C@]1(C(=CCC[C@H]1C)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 C26H32ClNO3 MW 442.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32ClNO3/c1-16-4-3-5-19-14-22-23(24(29)26(16,19)2)21(25(30)31-22)15-28-12-10-18(11-13-28)17-6-8-20(27)9-7-17/h5-10,16,21-24,29H,3-4,11-15H2,1-2H3/t16-,21?,22+,23+,24-,26+/m0/s1InChIKey
ZEJRMEFSBLSGKA-OZGNRDJHSA-NSynonyms
1212437-74-5(3S3aS4S4aR5S9aR)3((4(4chlorophenyl)56dihydropyridin1(2H)yl)methyl)4hydroxy4a5dimethyl3a44a56799aoctahydronaphtho(23b)furan2(3H)one
1212437745
InChI=1SC26H32ClNO3c11643519142223(24(29)26(1619)2)21(25(30)3122)1528121018(111328)176820(27)9717h51016212429H341115H212H3t1621?22+23+2426+m0s1
MFCD32649944
O=C1O(C@H)2(C@@H)(C1CN1CCC(=CC1)c1ccc(cc1)Cl)(C@H)(O)(C@)1(C(=CCC(C@@H)1C)C2)C
ZINC000002107936
ZINC000008918001
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