Vitas-M small molecule compound
butyl 2-[(4-acetylphenyl)carbamoyl]-3-nitrobenzoate
Catalog ID
STK748508
SMILES CCCCOC(=O)c1cccc(c1C(=O)Nc1ccc(cc1)C(=O)C)[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 C20H20N2O6 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O6/c1-3-4-12-28-20(25)16-6-5-7-17(22(26)27)18(16)19(24)21-15-10-8-14(9-11-15)13(2)23/h5-11H,3-4,12H2,1-2H3,(H,21,24)InChIKey
LTHQITJEISGFCW-UHFFFAOYSA-NSynonyms
butyl2((4acetylphenyl)carbamoyl)3nitrobenzoate
BUTYL2(N(4ACETYLPHENYL)CARBAMOYL)3NITROBENZOATE
CCCCOC(=O)C1=C(C(=CC=C1)(N+)(=O)(O))C(=O)NC2=CC=C(C=C2)C(=O)C
CCCCOC(=O)c1cccc(c1C(=O)Nc1ccc(cc1)C(=O)C)(N+)(=O)(O)
InChI=1SC20H20N2O6c134122820(25)1665717(22(26)27)18(16)19(24)211510814(91115)13(2)23h511H3412H212H3(H2124)
MFCD00743473
ZINC000002025377
ZINC02025377
ZINC2025377
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