Vitas-M small molecule compound

2-[(1-benzyl-3-bromo-1H-1,2,4-triazol-5-yl)sulfanyl]aniline

Catalog ID
STK357384
SMILES Brc1nn(c(n1)Sc1ccccc1N)Cc1ccccc1

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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 C15H13BrN4S MW 361.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13BrN4S/c16-14-18-15(21-13-9-5-4-8-12(13)17)20(19-14)10-11-6-2-1-3-7-11/h1-9H,10,17H2
InChIKey
GPDGVNFRECOREM-UHFFFAOYSA-N
Synonyms
919970-89-1
2((1benzyl3bromo1H124triazol5yl)sulfanyl)aniline
2((1benzyl3bromo1H124triazol5yl)thio)aniline
2((2benzyl5bromo124triazol3yl)sulfanyl)aniline
919970891
C1=CC=C(C=C1)CN2C(=NC(=N2)Br)SC3=CC=CC=C3N
InChI=1SC15H13BrN4Sc16141815(2113954812(13)17)20(1914)10116213711h19H1017H2
MFCD09426347
ZINC000009142763
ZINC09142763
ZINC9142763

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Available files

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