Vitas-M small molecule compound
methyl 3-[(2-methylpropyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK025493
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCC(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 C13H16N2O5 MW 280.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N2O5/c1-8(2)7-14-12(16)9-4-10(13(17)20-3)6-11(5-9)15(18)19/h4-6,8H,7H2,1-3H3,(H,14,16)InChIKey
ZDMUJVNZKXNDGU-UHFFFAOYSA-NSynonyms
329931-93-3329931933
CC(C)CNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NCC(C)C
InChI=1SC13H16N2O5c18(2)71412(16)9410(13(17)203)611(59)15(18)19h468H7H213H3(H1416)
METHYL3((2METHYLPROPYL)CARBAMOYL)5NITROBENZOATE
METHYL3(2METHYLPROPYLCARBAMOYL)5NITROBENZOATE
METHYL5(N(2METHYLPROPYL)CARBAMOYL)3NITROBENZOATE
MFCD01196942
STK025493
ZINC000000060824
ZINC00060824
ZINC60824
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