Vitas-M small molecule compound
methyl 5-{[(2-methyl-3-nitrophenyl)carbonyl]amino}-2-(morpholin-4-yl)benzoate
Catalog ID
STK183487
SMILES COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1cccc(c1C)[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/c1-13-15(4-3-5-17(13)23(26)27)19(24)21-14-6-7-18(16(12-14)20(25)28-2)22-8-10-29-11-9-22/h3-7,12H,8-11H2,1-2H3,(H,21,24)InChIKey
MBXPKIWZRXEVCT-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1(N+)(=O)(O))C(=O)NC2=CC(=C(C=C2)N3CCOCC3)C(=O)OC
COC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC20H21N3O6c11315(43517(13)23(26)27)19(24)21146718(16(1214)20(25)282)228102911922h3712H811H212H3(H2124)
METHYL5(((2METHYL3NITROPHENYL)CARBONYL)AMINO)2(MORPHOLIN4YL)BENZOATE
METHYL5((2METHYL3NITROBENZOYL)AMINO)2MORPHOLIN4YLBENZOATE
MFCD06664374
ZINC000004710827
ZINC04710827
ZINC4710827
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