Vitas-M small molecule compound
methyl 3-(butan-2-ylcarbamoyl)-5-nitrobenzoate
Catalog ID
STK075706
SMILES CCC(NC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-])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 C13H16N2O5 MW 280.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O5/c1-4-8(2)14-12(16)9-5-10(13(17)20-3)7-11(6-9)15(18)19/h5-8H,4H2,1-3H3,(H,14,16)InChIKey
JADTWIRAJPYXRZ-UHFFFAOYSA-NSynonyms
329931-94-4329931944
CCC(C)NC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
CCC(NC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O))C
InChI=1SC13H16N2O5c148(2)1412(16)9510(13(17)203)711(69)15(18)19h58H4H213H3(H1416)
METHYL3(BUTAN2YLCARBAMOYL)5NITROBENZOATE
METHYL5(N(METHYLPROPYL)CARBAMOYL)3NITROBENZOATE
MFCD01196943
STK075706
ZINC000000060825
ZINC000000060826
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