Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-{2-[2-({[(4-bromophenyl)carbonyl]oxy}methyl)furan-3-yl]ethyl}-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL562452
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1COC(=O)c1ccc(cc1)Br)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 C29H35BrO5 MW 543.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35BrO5/c1-19-6-13-25-28(2,15-5-16-29(25,3)27(32)33-4)23(19)12-9-20-14-17-34-24(20)18-35-26(31)21-7-10-22(30)11-8-21/h7-8,10-11,14,17,23,25H,1,5-6,9,12-13,15-16,18H2,2-4H3/t23-,25?,28+,29-/m0/s1InChIKey
WQSHYRPYEFFDFB-YCZWFDQTSA-NSynonyms
957032-50-7(1S4aR5S)methyl5(2(2(((4bromobenzoyl)oxy)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
16397305
957032507
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1COC(=O)c1ccc(cc1)Br)C
InChI=1SC29H35BrO5c1196132528(21551629(253)27(32)334)23(19)1292014173424(20)183526(31)2171022(30)11821h78101114172325H15691213151618H224H3t2325?28+29m0s1
methyl(1S4aR5S)5(2(2((((4bromophenyl)carbonyl)oxy)methyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
methyl(1S4aR5S)5(2(2((4bromobenzoyl)oxymethyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
MFCD32651264
ZINC000070670185
ZINC000070670186
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