Vitas-M small molecule compound
methyl 3-[(2-ethylhexyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STK087907
SMILES CCCCC(CNC(=O)c1cc(cc(c1)C(=O)OC)[N+](=O)[O-])CC
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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 C17H24N2O5 MW 336.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H24N2O5/c1-4-6-7-12(5-2)11-18-16(20)13-8-14(17(21)24-3)10-15(9-13)19(22)23/h8-10,12H,4-7,11H2,1-3H3,(H,18,20)InChIKey
YDIOEOYHHJZRCK-UHFFFAOYSA-NSynonyms
521299-22-9521299229
CCCCC(CC)CNC(=O)C1=CC(=CC(=C1)(N+)(=O)(O))C(=O)OC
CCCCC(CNC(=O)c1cc(cc(c1)C(=O)OC)(N+)(=O)(O))CC
InChI=1SC17H24N2O5c146712(52)111816(20)13814(17(21)243)1015(913)19(22)23h81012H4711H213H3(H1820)
METHYL3((2ETHYLHEXYL)CARBAMOYL)5NITROBENZOATE
METHYL3(2ETHYLHEXYLCARBAMOYL)5NITROBENZOATE
METHYL5(N(2ETHYLHEXYL)CARBAMOYL)3NITROBENZOATE
MFCD03575665
STK087907
ZINC000004673172
ZINC000004673173
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