Vitas-M small molecule compound

4,5-dimethoxy-6-[(1E)-2-nitroprop-1-en-1-yl]-1,3-benzodioxole

Catalog ID
STK693813
SMILES COc1c(cc2c(c1OC)OCO2)/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)4-8-5-9-11(19-6-18-9)12(17-3)10(8)16-2/h4-5H,6H2,1-3H3/b7-4+
InChIKey
SARJGJXAGRMIPC-QPJJXVBHSA-N
Synonyms

45dimethoxy6((1E)2nitroprop1en1yl)13benzodioxole
45dimethoxy6((E)2nitroprop1enyl)13benzodioxole
6((1E)2NITROPROP1ENYL)45DIMETHOXY2HBENZO(D)13DIOXOLENE
CC(=CC1=CC2=C(C(=C1OC)OC)OCO2)(N+)(=O)(O)
COc1c(cc2c(c1OC)OCO2)C=C((N+)(=O)(O))C
InChI=1SC12H13NO6c17(13(14)15)485911(196189)12(173)10(8)162h45H6H213H3b74+
MFCD09261487
ZINC000014987626
ZINC14987626

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Available files

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