Vitas-M small molecule compound
methyl (1S,4aR,5S)-1,4a-dimethyl-6-methylidene-5-[2-(2-{[(phenylcarbonyl)oxy]methyl}furan-3-yl)ethyl]decahydronaphthalene-1-carboxylate
Catalog ID
STL562440
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1COC(=O)c1ccccc1)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 C29H36O5 MW 464.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36O5/c1-20-11-14-25-28(2,16-8-17-29(25,3)27(31)32-4)23(20)13-12-21-15-18-33-24(21)19-34-26(30)22-9-6-5-7-10-22/h5-7,9-10,15,18,23,25H,1,8,11-14,16-17,19H2,2-4H3/t23-,25?,28+,29-/m0/s1InChIKey
NLWIDYSIBNZSQY-YCZWFDQTSA-NSynonyms
957033-67-9(1S4aR5S)methyl5(2(2((benzoyloxy)methyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
16397242
957033679
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1COC(=O)c1ccccc1)C
InChI=1SC29H36O5c12011142528(21681729(253)27(31)324)23(20)13122115183324(21)193426(30)2296571022h5791015182325H181114161719H224H3t2325?28+29m0s1
methyl(1S4aR5S)14adimethyl6methylidene5(2(2(((phenylcarbonyl)oxy)methyl)furan3yl)ethyl)decahydronaphthalene1carboxylate
methyl(1S4aR5S)5(2(2(benzoyloxymethyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
MFCD32651261
ZINC000012660227
ZINC000012660229
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