Vitas-M small molecule compound

5-(6-nitro-1,3-benzodioxol-5-yl)-2H-tetrazole

Catalog ID
STK691885
SMILES [O-][N+](=O)c1cc2OCOc2cc1c1n[nH]nn1

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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 C8H5N5O4 MW 235.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H5N5O4/c14-13(15)5-2-7-6(16-3-17-7)1-4(5)8-9-11-12-10-8/h1-2H,3H2,(H,9,10,11,12)
InChIKey
PJDYSCDPFFYIMP-UHFFFAOYSA-N
Synonyms

(O)(N+)(=O)c1cc2OCOc2cc1c1n(nH)nn1
5(6nitro13benzodioxol5yl)2Htetrazole
C1OC2=C(O1)C=C(C(=C2)C3=NNN=N3)(N+)(=O)(O)
InChI=1SC8H5N5O4c1413(15)5276(163177)14(5)891112108h12H3H2(H9101112)
MFCD10037871
ZINC000015081628
ZINC15081628

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Available files

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