Vitas-M small molecule compound

1-(3-C-ethynylpentofuranosyl)-1H-benzotriazole

Catalog ID
STL435982
SMILES OCC1OC(C(C1(O)C#C)O)n1nnc2c1cccc2

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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 C13H13N3O4 MW 275.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4/c1-2-13(19)10(7-17)20-12(11(13)18)16-9-6-4-3-5-8(9)14-15-16/h1,3-6,10-12,17-19H,7H2
InChIKey
GEVKQQSLRZADLG-UHFFFAOYSA-N
Synonyms

1(3Cethynylpentofuranosyl)1Hbenzotriazole
5(benzotriazol1yl)3ethynyl2(hydroxymethyl)oxolane34diol
C#CC1(C(OC(C1O)N2C3=CC=CC=C3N=N2)CO)O
InChI=1SC13H13N3O4c1213(19)10(717)2012(11(13)18)16964358(9)141516h13610121719H7H2
MFCD30711888
ZINC000253470550
ZINC000253470553

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.