Vitas-M small molecule compound
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(4-nitro-1H-pyrazol-1-yl)propan-1-one
Catalog ID
STK784464
SMILES O=C(C(n1ncc(c1)[N+](=O)[O-])C)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 C18H21N5O5 MW 387.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21N5O5/c1-13(22-11-15(9-19-22)23(25)26)18(24)21-6-4-20(5-7-21)10-14-2-3-16-17(8-14)28-12-27-16/h2-3,8-9,11,13H,4-7,10,12H2,1H3InChIKey
DTIHCFXULUEVIL-UHFFFAOYSA-NSynonyms
1(4(13benzodioxol5ylmethyl)piperazin1yl)2(4nitro1Hpyrazol1yl)propan1one
1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)2(4NITROPYRAZOL1YL)PROPAN1ONE
CC(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C=C(C=N4)(N+)(=O)(O)
InChI=1SC18H21N5O5c113(221115(91922)23(25)26)18(24)216420(5721)1014231617(814)28122716h23891113H471012H21H3
MFCD07022358
O=C(C(n1ncc(c1)(N+)(=O)(O))C)N1CCN(CC1)Cc1ccc2c(c1)OCO2
ZINC000019932915
ZINC000019932918
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