Vitas-M small molecule compound
6-(1,3-benzodioxol-5-yl)-1,3-dimethyl-4-oxo-4H-cyclohepta[c]furan-8-yl 3-nitrobenzoate
Catalog ID
STL182894
SMILES O=C(c1cccc(c1)[N+](=O)[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 C25H17NO8 MW 459.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H17NO8/c1-13-23-19(27)9-17(15-6-7-20-21(10-15)32-12-31-20)11-22(24(23)14(2)33-13)34-25(28)16-4-3-5-18(8-16)26(29)30/h3-11H,12H2,1-2H3InChIKey
RMWFFROMPNTWAZ-UHFFFAOYSA-NSynonyms
833444-06-7(6(13BENZODIOXOL5YL)13DIMETHYL8OXOCYCLOHEPTA(C)FURAN4YL)3NITROBENZOATE
6(13benzodioxol5yl)13dimethyl4oxo4Hcyclohepta(c)furan8yl3nitrobenzoate
833444067
CC1=C2C(=CC(=CC(=O)C2=C(O1)C)C3=CC4=C(C=C3)OCO4)OC(=O)C5=CC(=CC=C5)(N+)(=O)(O)
InChI=1SC25H17NO8c1132319(27)917(15672021(1015)32123120)1122(24(23)14(2)3313)3425(28)1643518(816)26(29)30h311H12H212H3
MFCD06630052
O=C(c1cccc(c1)(N+)(=O)(O))Oc1cc(cc(=O)c2c1c(C)oc2C)c1ccc2c(c1)OCO2
ZINC000016448196
ZINC16448196
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