Vitas-M small molecule compound
methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate
Catalog ID
STK065098
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NC(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 C12H14N2O5 MW 266.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O5/c1-7(2)13-11(15)8-4-9(12(16)19-3)6-10(5-8)14(17)18/h4-7H,1-3H3,(H,13,15)InChIKey
WFWZWDVRJIAUMS-UHFFFAOYSA-NSynonyms
329932-04-9329932049
CC(C)NC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NC(C)C
InChI=1SC12H14N2O5c17(2)1311(15)849(12(16)193)610(58)14(17)18h47H13H3(H1315)
METHYL3NITRO5(PROPAN2YLCARBAMOYL)BENZOATE
METHYL5(N(METHYLETHYL)CARBAMOYL)3NITROBENZOATE
MFCD01196965
STK065098
ZINC000000060839
ZINC00060839
ZINC60839
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