Vitas-M small molecule compound
methyl 3-[(3,4-dimethylphenyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK033961
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ccc(c(c1)C)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 C17H16N2O5 MW 328.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O5/c1-10-4-5-14(6-11(10)2)18-16(20)12-7-13(17(21)24-3)9-15(8-12)19(22)23/h4-9H,1-3H3,(H,18,20)InChIKey
ZSHOBYQBAKDEHG-UHFFFAOYSA-NSynonyms
348605-41-4348605414
CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC)C
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1ccc(c(c1)C)C
InChI=1SC17H16N2O5c1104514(611(10)2)1816(20)12713(17(21)243)915(812)19(22)23h49H13H3(H1820)
METHYL3((34DIMETHYLPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(34DIMETHYLPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01196890
STK033961
ZINC000000434360
ZINC00434360
ZINC434360
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