Vitas-M small molecule compound
methyl 3-[(3-methylbutyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK323229
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCCC(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 C14H18N2O5 MW 294.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H18N2O5/c1-9(2)4-5-15-13(17)10-6-11(14(18)21-3)8-12(7-10)16(19)20/h6-9H,4-5H2,1-3H3,(H,15,17)InChIKey
HHIGOCXMKUNLQG-UHFFFAOYSA-NSynonyms
349146-04-9349146049
CC(C)CCNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NCCC(C)C
InChI=1SC14H18N2O5c19(2)451513(17)10611(14(18)213)812(710)16(19)20h69H45H213H3(H1517)
METHYL3(((3METHYLBUTYL)AMINO)CARBONYL)5NITROBENZOATE
methyl3((3methylbutyl)carbamoyl)5nitrobenzoate
METHYL3(3METHYLBUTYLCARBAMOYL)5NITROBENZOATE
METHYL5(N(3METHYLBUTYL)CARBAMOYL)3NITROBENZOATE
MFCD02008065
ZINC000000442375
ZINC00442375
ZINC442375
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