Vitas-M small molecule compound
(3aR,4S,9aS,9bR)-3,6,9-trimethyl-2,7-dioxo-2,3,3a,4,5,7,9a,9b-octahydroazuleno[4,5-b]furan-4-yl cyclohexanecarboxylate
Catalog ID
STL526070
SMILES O=C(C1CCCCC1)O[C@H]1CC(=C2[C@@H]([C@@H]3[C@@H]1[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 C22H28O5 MW 372.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28O5/c1-11-9-15(23)17-12(2)10-16(26-22(25)14-7-5-4-6-8-14)19-13(3)21(24)27-20(19)18(11)17/h9,13-14,16,18-20H,4-8,10H2,1-3H3/t13-,16-,18-,19+,20+/m0/s1InChIKey
FHTQYKIKZYQVQL-KSYRLKCISA-NSynonyms
956331-03-6((3~(S)3~(a)~(R)4~(S)9~(a)~(S)9~(b)~(R))369trimethyl27dioxo33~(a)459~(a)9~(b)hexahydroazuleno(45b)furan4yl)cyclohexanecarboxylate
(3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylcyclohexanecarboxylate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylcyclohexanecarboxylate
11873320
956331036
InChI=1SC22H28O5c111915(23)1712(2)1016(2622(25)147546814)1913(3)21(24)2720(19)18(11)17h91314161820H4810H213H3t13161819+20+m0s1
MFCD02056749
O=C(C1CCCCC1)O(C@H)1CC(=C2(C@@H)((C@@H)3(C@@H)1(C@H)(C)C(=O)O3)C(=CC2=O)C)C
ZINC000006950404
ZINC6950404
Check stock
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