Vitas-M small molecule compound

prop-2-yn-1-yl N-(2,4-dinitrophenyl)-beta-alaninate

Catalog ID
STK806546
SMILES C#CCOC(=O)CCNc1ccc(cc1[N+](=O)[O-])[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 C12H11N3O6 MW 293.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O6/c1-2-7-21-12(16)5-6-13-10-4-3-9(14(17)18)8-11(10)15(19)20/h1,3-4,8,13H,5-7H2
InChIKey
YIDIFZRANXIOPU-UHFFFAOYSA-N
Synonyms

C#CCOC(=O)CCNC1=C(C=C(C=C1)(N+)(=O)(O))(N+)(=O)(O)
C#CCOC(=O)CCNc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC12H11N3O6c1272112(16)561310439(14(17)18)811(10)15(19)20h134813H57H2
MFCD00786075
prop2yn1ylN(24dinitrophenyl)betaalaninate
PROP2YNYL3((24DINITROPHENYL)AMINO)PROPANOATE
PROP2YNYL3(24DINITROANILINO)PROPANOATE
ZINC000004247093
ZINC04247093
ZINC4247093

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Available files

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