Vitas-M small molecule compound

3-nitro-N-[4-(prop-2-yn-1-yloxy)benzyl]aniline

Catalog ID
STL495474
SMILES C#CCOc1ccc(cc1)CNc1cccc(c1)[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 C16H14N2O3 MW 282.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O3/c1-2-10-21-16-8-6-13(7-9-16)12-17-14-4-3-5-15(11-14)18(19)20/h1,3-9,11,17H,10,12H2
InChIKey
FQIYBOGTOBQJME-UHFFFAOYSA-N
Synonyms

3NITRON((4PROP2YNOXYPHENYL)METHYL)ANILINE
3nitroN(4(prop2yn1yloxy)benzyl)aniline
C#CCOC1=CC=C(C=C1)CNC2=CC(=CC=C2)(N+)(=O)(O)
C#CCOc1ccc(cc1)CNc1cccc(c1)(N+)(=O)(O)
InChI=1SC16H14N2O3c121021168613(7916)12171443515(1114)18(19)20h1391117H1012H2
MFCD06633581
ZINC000004839723
ZINC04839723
ZINC4839723

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Available files

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