Vitas-M small molecule compound

methyl 4-({[5-bromo-2-(1H-tetrazol-1-yl)phenyl]carbonyl}amino)benzoate

Catalog ID
STK639031
SMILES COC(=O)c1ccc(cc1)NC(=O)c1cc(Br)ccc1n1cnnn1

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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 C16H12BrN5O3 MW 402.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12BrN5O3/c1-25-16(24)10-2-5-12(6-3-10)19-15(23)13-8-11(17)4-7-14(13)22-9-18-20-21-22/h2-9H,1H3,(H,19,23)
InChIKey
YBEJPRNCJLZTKC-UHFFFAOYSA-N
Synonyms
1010907-42-2
1010907422
COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)N3C=NN=N3
InChI=1SC16H12BrN5O3c12516(24)102512(6310)1915(23)13811(17)4714(13)22918202122h29H1H3(H1923)
methyl4(((5bromo2(1Htetrazol1yl)phenyl)carbonyl)amino)benzoate
methyl4((5bromo2(tetrazol1yl)benzoyl)amino)benzoate
methyl4(5bromo2(1Htetrazol1yl)benzamido)benzoate
MFCD12200275
ZINC000012323045
ZINC12323045

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Available files

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