Vitas-M small molecule compound
methyl 3-[(2,5-dimethylphenyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK062015
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1cc(C)ccc1C
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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/c1-10-4-5-11(2)15(6-10)18-16(20)12-7-13(17(21)24-3)9-14(8-12)19(22)23/h4-9H,1-3H3,(H,18,20)InChIKey
LKNMJBQOWBUEMY-UHFFFAOYSA-NSynonyms
348605-40-3348605403
CC1=CC(=C(C=C1)C)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)Nc1cc(C)ccc1C
InChI=1SC17H16N2O5c1104511(2)15(610)1816(20)12713(17(21)243)914(812)19(22)23h49H13H3(H1820)
METHYL3((25DIMETHYLPHENYL)CARBAMOYL)5NITROBENZOATE
METHYL5(N(25DIMETHYLPHENYL)CARBAMOYL)3NITROBENZOATE
MFCD01196891
STK062015
ZINC000000434442
ZINC00434442
ZINC434442
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