Vitas-M small molecule compound

methyl 2-(morpholin-4-yl)-5-{[(2-nitrophenyl)carbonyl]amino}benzoate

Catalog ID
STK188684
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1ccccc1[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 C19H19N3O6 MW 385.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O6/c1-27-19(24)15-12-13(6-7-16(15)21-8-10-28-11-9-21)20-18(23)14-4-2-3-5-17(14)22(25)26/h2-7,12H,8-11H2,1H3,(H,20,23)
InChIKey
HCUNPLKWZTVQHF-UHFFFAOYSA-N
Synonyms

COC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2(N+)(=O)(O))N3CCOCC3
COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1ccccc1(N+)(=O)(O)
InChI=1SC19H19N3O6c12719(24)151213(6716(15)218102811921)2018(23)14423517(14)22(25)26h2712H811H21H3(H2023)
METHYL2(MORPHOLIN4YL)5(((2NITROPHENYL)CARBONYL)AMINO)BENZOATE
METHYL2MORPHOLIN4YL5((2NITROBENZOYL)AMINO)BENZOATE
MFCD06664783
ZINC000004711504
ZINC04711504
ZINC4711504

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Available files

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