Vitas-M small molecule compound
methyl 3-[(2-ethyl-6-methylphenyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK323226
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1c(C)cccc1CC
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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 C18H18N2O5 MW 342.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N2O5/c1-4-12-7-5-6-11(2)16(12)19-17(21)13-8-14(18(22)25-3)10-15(9-13)20(23)24/h5-10H,4H2,1-3H3,(H,19,21)InChIKey
CUXOUESFBMRBHS-UHFFFAOYSA-NSynonyms
329931-75-1329931751
CCC1=CC=CC(=C1NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC)C
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1c(C)cccc1CC
InChI=1SC18H18N2O5c141275611(2)16(12)1917(21)13814(18(22)253)1015(913)20(23)24h510H4H213H3(H1921)
methyl3((2ethyl6methylphenyl)carbamoyl)5nitrobenzoate
METHYL5(N(6ETHYL2METHYLPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01196893
ZINC000000060815
ZINC00060815
ZINC60815
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