Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](4,5-dimethoxy-2-nitrophenyl)methanone
Catalog ID
STK029392
SMILES COc1cc([N+](=O)[O-])c(cc1OC)C(=O)N1CCN(CC1)Cc1ccc2c(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 C21H23N3O7 MW 429.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O7/c1-28-18-10-15(16(24(26)27)11-19(18)29-2)21(25)23-7-5-22(6-8-23)12-14-3-4-17-20(9-14)31-13-30-17/h3-4,9-11H,5-8,12-13H2,1-2H3InChIKey
QKNSBHUUQTXINE-UHFFFAOYSA-NSynonyms
349440-63-7(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(45DIMETHOXY2NITROPHENYL)METHANONE
(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)(45dimethoxy2nitrophenyl)methanone
349440637
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL45DIMETHOXY2NITROPHENYLKETONE
COC1=C(C=C(C(=C1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4)(N+)(=O)(O))OC
COc1cc((N+)(=O)(O))c(cc1OC)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H23N3O7c128181015(16(24(26)27)1119(18)292)21(25)237522(6823)1214341720(914)31133017h34911H581213H212H3
MFCD02862283
STK029392
ZINC000019866997
ZINC19866997
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