Vitas-M small molecule compound
methyl 3-{[2-(4-fluorophenyl)ethyl]carbamoyl}-5-nitrobenzoate
Catalog ID
STK011571
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCc1ccc(cc1)F
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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 C17H15FN2O5 MW 346.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15FN2O5/c1-25-17(22)13-8-12(9-15(10-13)20(23)24)16(21)19-7-6-11-2-4-14(18)5-3-11/h2-5,8-10H,6-7H2,1H3,(H,19,21)InChIKey
DNJJNFHETNJFIY-UHFFFAOYSA-NSynonyms
431994-33-1431994331
COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=C(C=C2)F)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NCCc1ccc(cc1)F
InChI=1SC17H15FN2O5c12517(22)13812(915(1013)20(23)24)16(21)1976112414(18)5311h25810H67H21H3(H1921)
METHYL3((2(4FLUOROPHENYL)ETHYL)CARBAMOYL)5NITROBENZOATE
METHYL3(2(4FLUOROPHENYL)ETHYLCARBAMOYL)5NITROBENZOATE
METHYL5(N(2(4FLUOROPHENYL)ETHYL)CARBAMOYL)3NITROBENZOATE
MFCD03143302
STK011571
ZINC000000859852
ZINC00859852
ZINC859852
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