Vitas-M small molecule compound
ethyl 3-{[(6-bromo-8-methoxy-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(3-nitrophenyl)propanoate
Catalog ID
STK679898
SMILES CCOC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)c1cc2cc(Br)cc(c2oc1=O)OC
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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 C22H19BrN2O8 MW 519.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN2O8/c1-3-32-19(26)11-17(12-5-4-6-15(8-12)25(29)30)24-21(27)16-9-13-7-14(23)10-18(31-2)20(13)33-22(16)28/h4-10,17H,3,11H2,1-2H3,(H,24,27)InChIKey
FEAAEVWQTXXDMD-UHFFFAOYSA-NSynonyms
681853-14-5681853145
CCOC(=O)CC(C1=CC(=CC=C1)(N+)(=O)(O))NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)Br
CCOC(=O)CC(c1cccc(c1)(N+)(=O)(O))NC(=O)c1cc2cc(Br)cc(c2oc1=O)OC
ethyl3(((6bromo8methoxy2oxo2Hchromen3yl)carbonyl)amino)3(3nitrophenyl)propanoate
ETHYL3((6BROMO8METHOXY2OXOCHROMENE3CARBONYL)AMINO)3(3NITROPHENYL)PROPANOATE
ETHYL3(6BROMO8METHOXY2OXO2HCHROMENE3CARBOXAMIDO)3(3NITROPHENYL)PROPANOATE
InChI=1SC22H19BrN2O8c133219(26)1117(1254615(812)25(29)30)2421(27)16913714(23)1018(312)20(13)3322(16)28h41017H311H212H3(H2427)
MFCD03766374
ZINC000003623192
ZINC000003623194
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