Vitas-M small molecule compound
methyl 3-(heptylcarbamoyl)-5-nitrobenzoate
Catalog ID
STK083568
SMILES CCCCCCCNC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-]
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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 C16H22N2O5 MW 322.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H22N2O5/c1-3-4-5-6-7-8-17-15(19)12-9-13(16(20)23-2)11-14(10-12)18(21)22/h9-11H,3-8H2,1-2H3,(H,17,19)InChIKey
CCLBDTCBUWBWSD-UHFFFAOYSA-NSynonyms
329932-01-6329932016
CCCCCCCNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
CCCCCCCNC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O)
InChI=1SC16H22N2O5c13456781715(19)12913(16(20)232)1114(1012)18(21)22h911H38H212H3(H1719)
METHYL3(HEPTYLCARBAMOYL)5NITROBENZOATE
METHYL5(NHEPTYLCARBAMOYL)3NITROBENZOATE
MFCD01196960
STK083568
ZINC000097941831
ZINC97941831
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