Vitas-M small molecule compound
4,7-dimethoxy-5-[(1E)-2-nitroprop-1-en-1-yl]-1,3-benzodioxole
Catalog ID
STK693814
SMILES COc1c(cc(c2c1OCO2)OC)/C=C(/[N+](=O)[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 C12H13NO6 MW 267.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H13NO6/c1-7(13(14)15)4-8-5-9(16-2)11-12(10(8)17-3)19-6-18-11/h4-5H,6H2,1-3H3/b7-4+InChIKey
WQRDYLOJWQMEFW-QPJJXVBHSA-NSynonyms
22959-13-322959133
47dimethoxy5((1E)2nitroprop1en1yl)13benzodioxole
47dimethoxy5((E)2nitroprop1enyl)13benzodioxole
5((1E)2NITROPROP1ENYL)47DIMETHOXY2HBENZO(D)13DIOXOLENE
CC(=CC1=CC(=C2C(=C1OC)OCO2)OC)(N+)(=O)(O)
COc1c(cc(c2c1OCO2)OC)C=C((N+)(=O)(O))C
InChI=1SC12H13NO6c17(13(14)15)4859(162)1112(10(8)173)1961811h45H6H213H3b74+
MFCD09261488
ZINC000014987629
ZINC14987629
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