Vitas-M small molecule compound
ethyl 3-{4,8-dimethyl-7-[(4-nitrobenzyl)oxy]-2-oxo-2H-chromen-3-yl}propanoate
Catalog ID
STL463251
SMILES CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1)[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 C23H23NO7 MW 425.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23NO7/c1-4-29-21(25)12-10-19-14(2)18-9-11-20(15(3)22(18)31-23(19)26)30-13-16-5-7-17(8-6-16)24(27)28/h5-9,11H,4,10,12-13H2,1-3H3InChIKey
LKLWAEDZUOPQFF-UHFFFAOYSA-NSynonyms
716341-99-0716341990
CCOC(=O)CCC1=C(C2=C(C(=C(C=C2)OCC3=CC=C(C=C3)(N+)(=O)(O))C)OC1=O)C
CCOC(=O)CCc1c(=O)oc2c(c1C)ccc(c2C)OCc1ccc(cc1)(N+)(=O)(O)
ethyl3(48dimethyl7((4nitrobenzyl)oxy)2oxo2Hchromen3yl)propanoate
ETHYL3(48DIMETHYL7((4NITROPHENYL)METHOXY)2OXOCHROMEN3YL)PROPANOATE
InChI=1SC23H23NO7c142921(25)12101914(2)1891120(15(3)22(18)3123(19)26)3013165717(8616)24(27)28h5911H4101213H213H3
MFCD03850871
ZINC000001870971
ZINC01870971
ZINC1870971
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