Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-[2-(2-{[acetyl(methyl)amino]methyl}furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL562941
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CN(C(=O)C)C)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 C25H37NO4 MW 415.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37NO4/c1-17-8-11-22-24(3,13-7-14-25(22,4)23(28)29-6)20(17)10-9-19-12-15-30-21(19)16-26(5)18(2)27/h12,15,20,22H,1,7-11,13-14,16H2,2-6H3/t20-,22?,24+,25-/m0/s1InChIKey
UVYSICYLWPARNT-YUSAPHNTSA-NSynonyms
956817-05-3(1S4aR5S)methyl14adimethyl5(2(2((Nmethylacetamido)methyl)furan3yl)ethyl)6methylenedecahydronaphthalene1carboxylate
16399886
956817053
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CN(C(=O)C)C)C
InChI=1SC25H37NO4c1178112224(31371425(224)23(28)296)20(17)1091912153021(19)1626(5)18(2)27h12152022H1711131416H226H3t2022?24+25m0s1
methyl(1S4aR5S)5(2(2((acetyl(methyl)amino)methyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
methyl(1S4aR5S)5(2(2((acetyl(methyl)amino)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD32651375
ZINC000004064539
ZINC000004064541
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