Vitas-M small molecule compound
ethyl (4Z)-1-(2-methoxyethyl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160857
SMILES COCCN1C(=O)/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=C1C)C(=O)OCC
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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 C18H20N2O6 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O6/c1-4-26-18(22)16-12(2)19(9-10-25-3)17(21)15(16)11-13-5-7-14(8-6-13)20(23)24/h5-8,11H,4,9-10H2,1-3H3/b15-11-InChIKey
AKCQYSSRNRFWOF-PTNGSMBKSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)(N+)(=O)(O))CCOC)C
COCCN1C(=O)C(=Cc2ccc(cc2)(N+)(=O)(O))C(=C1C)C(=O)OCC
ETHYL(4Z)1(2METHOXYETHYL)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
ETHYL(4Z)1(2METHOXYETHYL)2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC18H20N2O6c142618(22)1612(2)19(910253)17(21)15(16)11135714(8613)20(23)24h5811H4910H213H3b1511
MFCD03711337
ZINC000014009357
ZINC14009357
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