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 propanoate
Catalog ID
STL566088
SMILES CCC(=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 C18H22O5 MW 318.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22O5/c1-5-13(20)22-12-7-9(3)14-11(19)6-8(2)15(14)17-16(12)10(4)18(21)23-17/h6,10,12,15-17H,5,7H2,1-4H3/t10-,12-,15-,16+,17+/m0/s1InChIKey
FHEGMPILPGYTOO-OGUSLDPUSA-NSynonyms
956338-24-2((3S3aR4S9aS9bR)369trimethyl27dioxo33a459a9bhexahydroazuleno(45b)furan4yl)propanoate
(3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylpropanoate
(3S3aR4S9aS9bR)369trimethyl27dioxo233a4579a9boctahydroazuleno(45b)furan4ylpropionate
11875620
956338242
CCC(=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=1SC18H22O5c1513(20)221279(3)1411(19)68(2)15(14)1716(12)10(4)18(21)2317h610121517H57H214H3t10121516+17+m0s1
MFCD32651833
ZINC000006202916
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