Vitas-M small molecule compound
ethyl 3-{7-[(2-methoxy-5-nitrobenzyl)oxy]-4-methyl-2-oxo-2H-chromen-3-yl}propanoate
Catalog ID
STL463300
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1cc(ccc1OC)[N+](=O)[O-]
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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 C23H23NO8 MW 441.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO8/c1-4-30-22(25)10-8-19-14(2)18-7-6-17(12-21(18)32-23(19)26)31-13-15-11-16(24(27)28)5-9-20(15)29-3/h5-7,9,11-12H,4,8,10,13H2,1-3H3InChIKey
ROFKJLOOHHYBIJ-UHFFFAOYSA-NSynonyms
701931-88-6701931886
CCOC(=O)CCC1=C(C2=C(C=C(C=C2)OCC3=C(C=CC(=C3)(N+)(=O)(O))OC)OC1=O)C
CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2)OCc1cc(ccc1OC)(N+)(=O)(O)
ethyl3(7((2methoxy5nitrobenzyl)oxy)4methyl2oxo2Hchromen3yl)propanoate
ETHYL3(7((2METHOXY5NITROPHENYL)METHOXY)4METHYL2OXOCHROMEN3YL)PROPANOATE
InChI=1SC23H23NO8c143022(25)1081914(2)187617(1221(18)3223(19)26)3113151116(24(27)28)5920(15)293h5791112H481013H213H3
MFCD03852760
ZINC000001118952
ZINC01118952
ZINC1118952
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