Vitas-M small molecule compound
ethyl 2-(morpholin-4-yl)-5-{[(2-nitrophenyl)carbonyl]amino}benzoate
Catalog ID
STK179972
SMILES CCOC(=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 C20H21N3O6 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O6/c1-2-29-20(25)16-13-14(7-8-17(16)22-9-11-28-12-10-22)21-19(24)15-5-3-4-6-18(15)23(26)27/h3-8,13H,2,9-12H2,1H3,(H,21,24)InChIKey
KQYNUIGPCGKMGF-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2(N+)(=O)(O))N3CCOCC3
CCOC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1ccccc1(N+)(=O)(O)
ETHYL2(MORPHOLIN4YL)5(((2NITROPHENYL)CARBONYL)AMINO)BENZOATE
ETHYL2MORPHOLIN4YL5((2NITROBENZOYL)AMINO)BENZOATE
InChI=1SC20H21N3O6c122920(25)161314(7817(16)2291128121022)2119(24)15534618(15)23(26)27h3813H2912H21H3(H2124)
MFCD06664212
ZINC000004705151
ZINC04705151
ZINC4705151
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