Vitas-M small molecule compound
{(1S,4aR,5S,6R)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyldecahydronaphthalene-1,6-diyl}dimethanediyl dibenzoate
Catalog ID
STL562641
SMILES O=C(c1ccccc1)OC[C@@H]1CCC2[C@]([C@H]1CCc1cocc1)(C)CCC[C@]2(C)COC(=O)c1ccccc1
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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 C34H40O5 MW 528.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H40O5/c1-33(24-39-32(36)27-12-7-4-8-13-27)19-9-20-34(2)29(16-14-25-18-21-37-22-25)28(15-17-30(33)34)23-38-31(35)26-10-5-3-6-11-26/h3-8,10-13,18,21-22,28-30H,9,14-17,19-20,23-24H2,1-2H3/t28-,29-,30?,33+,34+/m0/s1InChIKey
BDBXSKLPSPGPOP-JQTHCXBCSA-NSynonyms
957015-56-4((1S2R5S8aR)5(benzoyloxymethyl)1(2(furan3yl)ethyl)58adimethyl12344a678octahydronaphthalen2yl)methylbenzoate
((1S4aR5S6R)5(2(furan3yl)ethyl)14adimethyldecahydronaphthalene16diyl)dimethanediyldibenzoate
((1S4aR5S6R)6((benzoyloxy)methyl)5(2(furan3yl)ethyl)14adimethyldecahydronaphthalen1yl)methylbenzoate
16397889
957015564
InChI=1SC34H40O5c133(243932(36)27127481327)1992034(2)29(1614251821372225)28(151730(33)34)233831(35)26105361126h3810131821222830H9141719202324H212H3t282930?33+34+m0s1
MFCD32651321
O=C(c1ccccc1)OC(C@@H)1CCC2(C@)((C@H)1CCc1cocc1)(C)CCC(C@)2(C)COC(=O)c1ccccc1
ZINC000070672942
ZINC000070672944
Check stock
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