Vitas-M small molecule compound
methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-(2-{2-[(4-methylpiperidin-1-yl)methyl]furan-3-yl}ethyl)decahydronaphthalene-1-carboxylate
Catalog ID
STL562450
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CN1CCC(CC1)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 C28H43NO3 MW 441.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H43NO3/c1-20-11-16-29(17-12-20)19-24-22(13-18-32-24)8-9-23-21(2)7-10-25-27(23,3)14-6-15-28(25,4)26(30)31-5/h13,18,20,23,25H,2,6-12,14-17,19H2,1,3-5H3/t23-,25?,27+,28-/m0/s1InChIKey
ZGHHYFNDDMTZKI-GEQJBROBSA-NSynonyms
957001-58-0(1S4aR5S)methyl14adimethyl6methylene5(2(2((4methylpiperidin1yl)methyl)furan3yl)ethyl)decahydronaphthalene1carboxylate
16397230
957001580
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CN1CCC(CC1)C)C
InChI=1SC28H43NO3c120111629(171220)192422(13183224)892321(2)7102527(233)1461528(254)26(30)315h1318202325H2612141719H2135H3t2325?27+28m0s1
methyl(1S4aR5S)14adimethyl6methylidene5(2(2((4methylpiperidin1yl)methyl)furan3yl)ethyl)345788ahexahydro2Hnaphthalene1carboxylate
methyl(1S4aR5S)14adimethyl6methylidene5(2(2((4methylpiperidin1yl)methyl)furan3yl)ethyl)decahydronaphthalene1carboxylate
MFCD32651263
ZINC000004028886
ZINC000004028887
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