Vitas-M small molecule compound
methyl (1S,4aR,5S)-5-[2-(2-formylfuran-3-yl)ethyl]-1,4a-dimethyl-6-methylidenedecahydronaphthalene-1-carboxylate
Catalog ID
STL526123
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1C=O)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 C22H30O4 MW 358.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H30O4/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/h10,13-14,17,19H,1,5-9,11-12H2,2-4H3/t17-,19?,21+,22-/m0/s1InChIKey
SGHGOYDALDCQEW-XHQJWINKSA-NSynonyms
1214629-61-4(1S4aR5S)methyl5(2(2formylfuran3yl)ethyl)14adimethyl6methylenedecahydronaphthalene1carboxylate
1214629614
15765309
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1C=O)C
InChI=1SC22H30O4c115691921(21151222(193)20(24)254)17(15)871610132618(16)1423h1013141719H1591112H224H3t1719?21+22m0s1
methyl(1~(S)4~(a)~(R)5~(S))5(2(2formylfuran3yl)ethyl)14~(a)dimethyl6methylidene345788~(a)hexahydro2~(H)naphthalene1carboxylate
methyl(1S4aR5S)5(2(2formylfuran3yl)ethyl)14adimethyl6methylidenedecahydronaphthalene1carboxylate
MFCD02925135
ZINC000004028814
ZINC000004028815
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