Vitas-M small molecule compound
methyl 3-[(2-cyanophenyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK007086
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccccc1C#N
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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 C16H11N3O5 MW 325.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N3O5/c1-24-16(21)12-6-11(7-13(8-12)19(22)23)15(20)18-14-5-3-2-4-10(14)9-17/h2-8H,1H3,(H,18,20)InChIKey
YLUWJPRLRATHOE-UHFFFAOYSA-NSynonyms
519017-78-8519017788
COC(=O)C1=CC(=CC(=C1)C(=O)NC2=CC=CC=C2C#N)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccccc1C#N
InChI=1SC16H11N3O5c12416(21)12611(713(812)19(22)23)15(20)1814532410(14)917h28H1H3(H1820)
METHYL3((2CYANOPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(2CYANOPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD02860174
STK007086
ZINC000004506277
ZINC04506277
ZINC4506277
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