Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-(2-{2-[(cyclohexylamino)methyl]furan-3-yl}ethyl)-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL526448
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC1CCCCC1)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/c1-20-11-14-25-27(2,16-8-17-28(25,3)26(30)31-4)23(20)13-12-21-15-18-32-24(21)19-29-22-9-6-5-7-10-22/h15,18,22-23,25,29H,1,5-14,16-17,19H2,2-4H3/t23-,25?,27+,28-/m0/s1InChIKey
UOIHMGVGVVIAEA-GEQJBROBSA-NSynonyms
(1S4aR5S)methyl5(2(2((cyclohexylamino)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylatehydrochloride
16397315
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CNC1CCCCC1)CCl
InChI=1SC28H43NO3c12011142527(21681728(253)26(30)314)23(20)13122115183224(21)19292296571022h151822232529H1514161719H224H3t2325?27+28m0s1
methyl(1~(S)4~(a)~(R)5~(S))5(2(2((cyclohexylamino)methyl)furan3yl)ethyl)14~(a)dimethyl6methylidene345788~(a)hexahydro2~(H)naphthalene1carboxylate
methyl(1S4aR5S)5(2(2((cyclohexylamino)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD02925878
ZINC000004029059
ZINC000004029060
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