Vitas-M small molecule compound
N-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)methyl]methionine
Catalog ID
STL564812
SMILES CSCCC(C(=O)O)NCc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC
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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 C27H41NO5S MW 491.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H41NO5S/c1-18-7-10-23-26(2,13-6-14-27(23,3)25(31)32-4)20(18)9-8-19-11-15-33-22(19)17-28-21(24(29)30)12-16-34-5/h11,15,20-21,23,28H,1,6-10,12-14,16-17H2,2-5H3,(H,29,30)/t20-,21?,23?,26+,27-/m0/s1InChIKey
LVEZIJYFNHXBKG-WDCKYTKXSA-NSynonyms
16397158
2(((3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylenedecahydronaphthalen1yl)ethyl)furan2yl)methyl)amino)4(methylthio)butanoicacid
2((3(2((1S5S8aR)5methoxycarbonyl58adimethyl2methylidene344a678hexahydro1Hnaphthalen1yl)ethyl)furan2yl)methylamino)4methylsulfanylbutanoicacid
CSCCC(C(=O)O)NCc1occc1CC(C@H)1C(=C)CCC2(C@)1(C)CCC(C@)2(C)C(=O)OC
InChI=1SC27H41NO5Sc1187102326(21361427(233)25(31)324)20(18)981911153322(19)172821(24(29)30)1216345h111520212328H161012141617H225H3(H2930)t2021?23?26+27m0s1
MFCD32651574
N((3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylidenedecahydronaphthalen1yl)ethyl)furan2yl)methyl)methionine
ZINC000008763194
ZINC000008763197
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