Vitas-M small molecule compound

methyl (1S,4aR,5S)-5-{2-[2-(hydroxymethyl)furan-3-yl]ethyl}-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate

Catalog ID
STL562750
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CO)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 C22H32O4 MW 360.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32O4/c1-15-6-9-19-21(2,11-5-12-22(19,3)20(24)25-4)17(15)8-7-16-10-13-26-18(16)14-23/h10,13,17,19,23H,1,5-9,11-12,14H2,2-4H3/t17-,19?,21+,22-/m0/s1
InChIKey
USJUZEYYTPWSSZ-XHQJWINKSA-N
Synonyms
1212427-17-2
(1S4aR5S)methyl5(2(2(hydroxymethyl)furan3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
1212427172
16398265
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CO)C
InChI=1SC22H32O4c115691921(21151222(193)20(24)254)17(15)871610132618(16)1423h1013171923H159111214H224H3t1719?21+22m0s1
methyl(1S4aR5S)5(2(2(hydroxymethyl)furan3yl)ethyl)14adimethyl6methylidene345788ahexahydro2Hnaphthalene1carboxylate
methyl(1S4aR5S)5(2(2(hydroxymethyl)furan3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD32651351
ZINC000004043352
ZINC000004043356

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Available files

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