Vitas-M small molecule compound

N~1~-[(E)-(5-bromo-2-methoxyphenyl)methylidene]-1H-tetrazole-1,5-diamine

Catalog ID
STK555792
SMILES COc1ccc(cc1/C=N/n1nnnc1N)Br

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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 C9H9BrN6O MW 297.11 g/mol Purity >90% as per NMR
InChI
InChI=1S/C9H9BrN6O/c1-17-8-3-2-7(10)4-6(8)5-12-16-9(11)13-14-15-16/h2-5H,1H3,(H2,11,13,15)/b12-5+
InChIKey
NLSNDPDBPTZKQK-LFYBBSHMSA-N
Synonyms
328075-70-3
(E)N1(5bromo2methoxybenzylidene)1Htetrazole15diamine
1((E)(5BROMO2METHOXYPHENYL)METHYLIDENEAMINO)TETRAZOL5AMINE
328075703
COC1=C(C=C(C=C1)Br)C=NN2C(=NN=N2)N
COc1ccc(cc1C=Nn1nnnc1N)Br
InChI=1SC9H9BrN6Oc1178327(10)46(8)512169(11)13141516h25H1H3(H2111315)b125+
MFCD01021673
N~1~((E)(5bromo2methoxyphenyl)methylidene)1Htetrazole15diamine
N1((E)(5BROMO2METHOXYPHENYL)METHYLIDENE)1HTETRAZOLE15DIAMINE
ZINC000000259808
ZINC33297266

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Available files

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