Vitas-M small molecule compound
methyl 3-nitro-4-(pyrrolidin-1-yl)benzoate
Catalog ID
STL355280
SMILES COC(=O)c1ccc(c(c1)[N+](=O)[O-])N1CCCC1
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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 C12H14N2O4 MW 250.25 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N2O4/c1-18-12(15)9-4-5-10(11(8-9)14(16)17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3InChIKey
STNYMNYXXLCDMB-UHFFFAOYSA-NSynonyms
91567-80-53NITRO4PYRROLIDIN1YLBENZOICACIDMETHYLESTER
3NITRO4PYRROLIZINOBENZOICACIDMETHYLESTER
91567805
COC(=O)C1=CC(=C(C=C1)N2CCCC2)(N+)(=O)(O)
COC(=O)c1ccc(c(c1)(N+)(=O)(O))N1CCCC1
InChI=1SC12H14N2O4c11812(15)94510(11(89)14(16)17)13623713h458H2367H21H3
methyl3nitro4(pyrrolidin1yl)benzoate
METHYL3NITRO4PYRROLIDIN1YLBENZOATE
MFCD06203760
ZINC000005731812
ZINC05731812
ZINC5731812
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