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 butanoate
Catalog ID
STL526177
SMILES CCCC(=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
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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 C19H24O5 MW 332.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H24O5/c1-5-6-14(21)23-13-8-10(3)15-12(20)7-9(2)16(15)18-17(13)11(4)19(22)24-18/h7,11,13,16-18H,5-6,8H2,1-4H3/t11-,13-,16-,17+,18+/m0/s1InChIKey
DUNHHJIMSHSKLR-CLPQOKMOSA-NSynonyms
956446-26-7((3~(S)3~(a)~(R)4~(S)9~(a)~(S)9~(b)~(R))369trimethyl27dioxo33~(a)459~(a)9~(b)hexahydroazuleno(45b)furan4yl)butanoate
(3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylbutanoate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylbutyrate
11873509
956446267
CCCC(=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=1SC19H24O5c15614(21)2313810(3)1512(20)79(2)16(15)1817(13)11(4)19(22)2418h711131618H568H214H3t11131617+18+m0s1
MFCD02058933
ZINC000006273122
ZINC6273122
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