Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-{2-[2-(azepan-1-ylmethyl)furan-3-yl]ethyl}-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL562418
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CN1CCCCCC1)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/c1-21-10-13-25-27(2,15-9-16-28(25,3)26(30)31-4)23(21)12-11-22-14-19-32-24(22)20-29-17-7-5-6-8-18-29/h14,19,23,25H,1,5-13,15-18,20H2,2-4H3/t23-,25?,27+,28-/m0/s1InChIKey
NRXSHTMQYCWAJB-GEQJBROBSA-NSynonyms
956826-12-3(1S4aR5S)methyl5(2(2(azepan1ylmethyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
16397155
956826123
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CN1CCCCCC1)C
InChI=1SC28H43NO3c12110132527(21591628(253)26(30)314)23(21)12112214193224(22)20291775681829h14192325H1513151820H224H3t2325?27+28m0s1
methyl(1S4aR5S)5(2(2(azepan1ylmethyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
methyl(1S4aR5S)5(2(2(azepan1ylmethyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD32651253
ZINC000001822785
ZINC000004028738
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