Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-[2-(2-{[(1-methoxy-1-oxopropan-2-yl)amino]methyl}furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL562403
SMILES COC(=O)C(NCc1occc1CC[C@H]1C(=C)CCC2[C@]1(C)CCC[C@]2(C)C(=O)OC)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 C26H39NO5 MW 445.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H39NO5/c1-17-8-11-22-25(3,13-7-14-26(22,4)24(29)31-6)20(17)10-9-19-12-15-32-21(19)16-27-18(2)23(28)30-5/h12,15,18,20,22,27H,1,7-11,13-14,16H2,2-6H3/t18?,20-,22?,25+,26-/m0/s1InChIKey
DCXYEWBJSCNEGI-UTNZOAFBSA-NSynonyms
(1S4aR5S)methyl5(2(2(((1methoxy1oxopropan2yl)amino)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
16397205
COC(=O)C(NCc1occc1CC(C@H)1C(=C)CCC2(C@)1(C)CCC(C@)2(C)C(=O)OC)C
InChI=1SC26H39NO5c1178112225(31371426(224)24(29)316)20(17)1091912153221(19)162718(2)23(28)305h121518202227H1711131416H226H3t18?2022?25+26m0s1
methyl(1S4aR5S)5(2(2(((1methoxy1oxopropan2yl)amino)methyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
methyl(1S4aR5S)5(2(2(((1methoxy1oxopropan2yl)amino)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD32651249
ZINC000059409806
ZINC000059409819
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