Vitas-M small molecule compound

4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 4-bromobenzoate

Catalog ID
STK668475
SMILES O=C(c1ccc(cc1)Br)Oc1ccc(cc1)/C=N/n1cnnc1

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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 C16H11BrN4O2 MW 371.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11BrN4O2/c17-14-5-3-13(4-6-14)16(22)23-15-7-1-12(2-8-15)9-20-21-10-18-19-11-21/h1-11H/b20-9+
InChIKey
NIBNXEQFELWRGG-AWQFTUOYSA-N
Synonyms

(4((E)124TRIAZOL4YLIMINOMETHYL)PHENYL)4BROMOBENZOATE
4((E)(4H124triazol4ylimino)methyl)phenyl4bromobenzoate
4BROMOBENZOICACID4((124)TRIAZOL4YLIMINOMETHYL)PHENYLESTER
C1=CC(=CC=C1C=NN2C=NN=C2)OC(=O)C3=CC=C(C=C3)Br
InChI=1SC16H11BrN4O2c17145313(4614)16(22)23157112(2815)920211018191121h111Hb209+
MFCD00737921
O=C(c1ccc(cc1)Br)Oc1ccc(cc1)C=Nn1cnnc1
ZINC000001093352
ZINC1093351

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Available files

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