Vitas-M small molecule compound
methyl 3-({4-[acetyl(methyl)amino]phenyl}carbamoyl)-5-nitrobenzoate
Catalog ID
STK082156
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)N(C(=O)C)C
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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 C18H17N3O6 MW 371.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O6/c1-11(22)20(2)15-6-4-14(5-7-15)19-17(23)12-8-13(18(24)27-3)10-16(9-12)21(25)26/h4-10H,1-3H3,(H,19,23)InChIKey
WCNAEGLXRGOLTA-UHFFFAOYSA-NSynonyms
349439-88-9349439889
CC(=O)N(C)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(cc1)N(C(=O)C)C
InChI=1SC18H17N3O6c111(22)20(2)156414(5715)1917(23)12813(18(24)273)1016(912)21(25)26h410H13H3(H1923)
METHYL3((4(ACETYL(METHYL)AMINO)PHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(4(NMETHYLACETYLAMINO)PHENYL)CARBAMOYL)3NITROBENZOATE
MFCD02603886
STK082156
ZINC000001182768
ZINC01182768
ZINC1182768
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