Vitas-M small molecule compound
diethyl [1-(7-methoxy-1,3-benzodioxol-5-yl)-2-nitroethyl]propanedioate
Catalog ID
STL433530
SMILES CCOC(=O)C(C(c1cc(OC)c2c(c1)OCO2)C[N+](=O)[O-])C(=O)OCC
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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 C17H21NO9 MW 383.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21NO9/c1-4-24-16(19)14(17(20)25-5-2)11(8-18(21)22)10-6-12(23-3)15-13(7-10)26-9-27-15/h6-7,11,14H,4-5,8-9H2,1-3H3InChIKey
YHEQTHXPNVITPB-UHFFFAOYSA-NSynonyms
CCOC(=O)C(C(C(N+)(=O)(O))C1=CC2=C(C(=C1)OC)OCO2)C(=O)OCC
CCOC(=O)C(C(c1cc(OC)c2c(c1)OCO2)C(N+)(=O)(O))C(=O)OCC
diethyl(1(7methoxy13benzodioxol5yl)2nitroethyl)propanedioate
diethyl2(1(7methoxy13benzodioxol5yl)2nitroethyl)propanedioate
InChI=1SC17H21NO9c142416(19)14(17(20)2552)11(818(21)22)10612(233)1513(710)2692715h671114H4589H213H3
MFCD25975907
ZINC000066091341
ZINC000066091342
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