Vitas-M small molecule compound

3-(2H-tetrazol-5-ylamino)cyclohex-2-en-1-one

Catalog ID
STK683710
SMILES O=C1CCCC(=C1)Nc1n[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 C7H9N5O MW 179.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C7H9N5O/c13-6-3-1-2-5(4-6)8-7-9-11-12-10-7/h4H,1-3H2,(H2,8,9,10,11,12)
InChIKey
REZXFQGPXQJVJG-UHFFFAOYSA-N
Synonyms

3(1HTETRAZOL5YLAMINO)CYCLOHEX2EN1ONE
3(2Htetrazol5ylamino)cyclohex2en1one
C1CC(=CC(=O)C1)NC2=NNN=N2
CYCLOHEX2ENONE3(2HTETRAZOL5YLAMINO)
InChI=1SC7H9N5Oc1363125(46)8791112107h4H13H2(H289101112)
MFCD05258599
O=C1CCCC(=C1)Nc1n(nH)nn1
ZINC000004401406
ZINC4401406

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Available files

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