Vitas-M small molecule compound
methyl 3-nitro-5-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
Catalog ID
STK073087
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1c(C)cc(cc1C)C
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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/c1-10-5-11(2)16(12(3)6-10)19-17(21)13-7-14(18(22)25-4)9-15(8-13)20(23)24/h5-9H,1-4H3,(H,19,21)InChIKey
JHAFTKCDDPTPIF-UHFFFAOYSA-NSynonyms
349085-86-5349085865
CC1=CC(=C(C(=C1)C)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC)C
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1c(C)cc(cc1C)C
InChI=1SC18H18N2O5c110511(2)16(12(3)610)1917(21)13714(18(22)254)915(813)20(23)24h59H14H3(H1921)
METHYL3NITRO5((246TRIMETHYLPHENYL)CARBAMOYL)BENZOATE
METHYL3NITRO5(N(246TRIMETHYLPHENYL)CARBAMOYL)BENZOATE
MFCD02007985
STK073087
ZINC000000184131
ZINC00184131
ZINC184131
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