Vitas-M small molecule compound
methyl (3S,4S,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl carbonate
Catalog ID
STL564803
SMILES COC(=O)O[C@H]1CC(=C2C([C@@H]3C1[C@H](C)C(=O)O3)C(=CC2=O)C)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 C17H20O6 MW 320.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H20O6/c1-7-5-10(18)12-8(2)6-11(22-17(20)21-4)14-9(3)16(19)23-15(14)13(7)12/h5,9,11,13-15H,6H2,1-4H3/t9-,11-,13?,14?,15+/m0/s1InChIKey
WBFTYXFEVUSNHU-YJQNQGLQSA-NSynonyms
((3S4S9bR)369trimethyl27dioxo33a459a9bhexahydroazuleno(45b)furan4yl)methylcarbonate
145705546
COC(=O)O(C@H)1CC(=C2(C@@H)((C@@H)3(C@@H)1(C@H)(C)C(=O)O3)C(=CC2=O)C)C
InChI=1SC17H20O6c17510(18)128(2)611(2217(20)214)149(3)16(19)2315(14)13(7)12h59111315H6H214H3t91113?14?15+m0s1
methyl((3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl)carbonate
methyl(3S4S9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylcarbonate
MFCD32651571
ZINC000004028660
ZINC001848443810
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