Vitas-M small molecule compound
4-(6-nitro-1,3-benzodioxol-5-yl)butan-2-one
Catalog ID
STK664842
SMILES [O-][N+](=O)c1cc2OCOc2cc1CCC(=O)C
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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 C11H11NO5 MW 237.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H11NO5/c1-7(13)2-3-8-4-10-11(17-6-16-10)5-9(8)12(14)15/h4-5H,2-3,6H2,1H3InChIKey
ZEDRNJMTGPWKKD-UHFFFAOYSA-NSynonyms
(O)(N+)(=O)c1cc2OCOc2cc1CCC(=O)C
2BUTANONE4(6NITRO13BENZODIOXOL5YL)
4(6nitro13benzodioxol5yl)butan2one
4(6NITRO2HBENZO(34D)13DIOXOLEN5YL)BUTAN2ONE
CC(=O)CCC1=CC2=C(C=C1(N+)(=O)(O))OCO2
InChI=1SC11H11NO5c17(13)23841011(1761610)59(8)12(14)15h45H236H21H3
MFCD07658167
ZINC000004782781
ZINC04782781
ZINC4782781
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