Vitas-M small molecule compound
6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-bromobenzoate
Catalog ID
STL182891
SMILES Brc1cccc(c1)C(=O)Oc1cc(cc(=O)c2c1c(C)oc2C)c1ccc2c(c1)OCO2
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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 C25H17BrO6 MW 493.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17BrO6/c1-13-23-19(27)9-17(15-6-7-20-21(10-15)30-12-29-20)11-22(24(23)14(2)31-13)32-25(28)16-4-3-5-18(26)8-16/h3-11H,12H2,1-2H3InChIKey
QQNYBMBOIODMQS-UHFFFAOYSA-NSynonyms
891047-89-5(6(13BENZODIOXOL5YL)13DIMETHYL8OXOCYCLOHEPTA(C)FURAN4YL)3BROMOBENZOATE
6(13benzodioxol5yl)13dimethyl4oxo4Hcyclohepta(c)furan8yl3bromobenzoate
891047895
CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC(=CC=C5)Br
InChI=1SC25H17BrO6c1132319(27)917(15672021(1015)30122920)1122(24(23)14(2)3113)3225(28)1643518(26)816h311H12H212H3
MFCD14812299
ZINC000008612494
ZINC8612494
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