Vitas-M small molecule compound

ethyl 3-{[(3,5-dinitrophenyl)carbonyl]amino}-3-(4-methoxyphenyl)propanoate

Catalog ID
STK770601
SMILES CCOC(=O)CC(c1ccc(cc1)OC)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C19H19N3O8 MW 417.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O8/c1-3-30-18(23)11-17(12-4-6-16(29-2)7-5-12)20-19(24)13-8-14(21(25)26)10-15(9-13)22(27)28/h4-10,17H,3,11H2,1-2H3,(H,20,24)
InChIKey
XREDYUISRFIUGM-UHFFFAOYSA-N
Synonyms

CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O)
CCOC(=O)CC(c1ccc(cc1)OC)NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
ethyl3(((35dinitrophenyl)carbonyl)amino)3(4methoxyphenyl)propanoate
ETHYL3((35DINITROBENZOYL)AMINO)3(4METHOXYPHENYL)PROPANOATE
InChI=1SC19H19N3O8c133018(23)1117(124616(292)7512)2019(24)13814(21(25)26)1015(913)22(27)28h41017H311H212H3(H2024)
MFCD03766372
ZINC000008868749
ZINC000008868751

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.