Vitas-M small molecule compound
(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 3-methylbutanoate
Catalog ID
STL564818
SMILES CC(CC(=O)O[C@H]1CC(=C2C([C@@H]3C1[C@H](C)C(=O)O3)C(=CC2=O)C)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 C20H26O5 MW 346.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26O5/c1-9(2)6-15(22)24-14-8-11(4)16-13(21)7-10(3)17(16)19-18(14)12(5)20(23)25-19/h7,9,12,14,17-19H,6,8H2,1-5H3/t12-,14-,17?,18?,19+/m0/s1InChIKey
SWPNYWJFYRZWCQ-WQJXBCFQSA-NSynonyms
((3S4S9bR)369trimethyl27dioxo33a459a9bhexahydroazuleno(45b)furan4yl)3methylbutanoate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl3methylbutanoate
(3S4S9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4yl3methylbutanoate
145705547
CC(CC(=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)C
InChI=1SC20H26O5c19(2)615(22)2414811(4)1613(21)710(3)17(16)1918(14)12(5)20(23)2519h7912141719H68H215H3t121417?18?19+m0s1
MFCD32651576
ZINC000004028394
ZINC000006183869
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