Vitas-M small molecule compound
methyl 3-[(1,3-benzodioxol-5-ylmethyl)carbamoyl]-5-nitrobenzoate
Catalog ID
STL260863
SMILES COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)NCc1ccc2c(c1)OCO2
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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 C17H14N2O7 MW 358.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14N2O7/c1-24-17(21)12-5-11(6-13(7-12)19(22)23)16(20)18-8-10-2-3-14-15(4-10)26-9-25-14/h2-7H,8-9H2,1H3,(H,18,20)InChIKey
WVNFQGQZNJWQDI-UHFFFAOYSA-NSynonyms
349439-96-9349439969
COC(=O)C1=CC(=CC(=C1)C(=O)NCC2=CC3=C(C=C2)OCO3)(N+)(=O)(O)
COC(=O)c1cc(cc(c1)(N+)(=O)(O))C(=O)NCc1ccc2c(c1)OCO2
InChI=1SC17H14N2O7c12417(21)12511(613(712)19(22)23)16(20)18810231415(410)2692514h27H89H21H3(H1820)
METHYL3(((13BENZODIOXOL5YLMETHYL)AMINO)CARBONYL)5NITROBENZOATE
methyl3((13benzodioxol5ylmethyl)carbamoyl)5nitrobenzoate
METHYL3(13BENZODIOXOL5YLMETHYLCARBAMOYL)5NITROBENZOATE
METHYL5(N(2HBENZO(34D)13DIOXOLEN5YLMETHYL)CARBAMOYL)3NITROBENZOATE
MFCD02862227
ZINC000001179576
ZINC01179576
ZINC1179576
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