Vitas-M small molecule compound

4-(1H-tetrazol-5-yl)benzoic acid

Catalog ID
STK662725
SMILES OC(=O)c1ccc(cc1)c1nnn[nH]1

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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 C8H6N4O2 MW 190.16 g/mol Purity >90% as per NMR
InChI
InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChIKey
GEKBULKUEADYRB-UHFFFAOYSA-N
Synonyms
570398-56-0
4(1HTETRAZD5YL)BENZOICACID
4(1Htetrazol5yl)benzoicacid
4(1HTETRAZOL5YLBENZOICACID
4(1HTETRAZOLE5YL)BENZOICACID
4(2HTETRAZOL5YL)BENZOICACID
5(4CARBOXYPHENYL)1HTETRAZOLE
570398560
BENZOICACID4(2HTETRAZOL5YL)
C1=CC(=CC=C1C2=NNN=N2)C(=O)O
InChI=1SC8H6N4O2c138(14)6315(246)791112107h14H(H1314)(H9101112)
MFCD06345720
OC(=O)c1ccc(cc1)c1nnn(nH)1
ZINC000000094366
ZINC94366

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Available files

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