Vitas-M small molecule compound

2-({2-bromo-4-[(E)-2-nitroethenyl]phenoxy}methyl)benzonitrile

Catalog ID
STL376371
SMILES N#Cc1ccccc1COc1ccc(cc1Br)/C=C/[N+](=O)[O-]

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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 C16H11BrN2O3 MW 359.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrN2O3/c17-15-9-12(7-8-19(20)21)5-6-16(15)22-11-14-4-2-1-3-13(14)10-18/h1-9H,11H2/b8-7+
InChIKey
AQRUMHMMQYZRFM-BQYQJAHWSA-N
Synonyms

2((2bromo4((E)2nitroethenyl)phenoxy)methyl)benzonitrile
2((4((1E)2NITROVINYL)2BROMOPHENOXY)METHYL)BENZENECARBONITRILE
C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=C(N+)(=O)(O))Br)C#N
InChI=1SC16H11BrN2O3c1715912(7819(20)21)5616(15)221114421313(14)1018h19H11H2b87+
MFCD02310302
N#Cc1ccccc1COc1ccc(cc1Br)C=C(N+)(=O)(O)
ZINC000006222397
ZINC06222397
ZINC6222397

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Available files

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