Vitas-M small molecule compound

2-{[4-benzyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(4-bromophenyl)ethanone

Catalog ID
STK024171
SMILES Brc1ccc(cc1)C(=O)CSc1nnc(n1Cc1ccccc1)c1ccncc1

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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 C22H17BrN4OS MW 465.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17BrN4OS/c23-19-8-6-17(7-9-19)20(28)15-29-22-26-25-21(18-10-12-24-13-11-18)27(22)14-16-4-2-1-3-5-16/h1-13H,14-15H2
InChIKey
NPCRRRUCFZDNCQ-UHFFFAOYSA-N
Synonyms

2((4BENZYL5(PYRIDIN4YL)4H124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
2((4benzyl5(pyridin4yl)4H124triazol3yl)thio)1(4bromophenyl)ethanone
2((4BENZYL5PYRIDIN4YL124TRIAZOL3YL)SULFANYL)1(4BROMOPHENYL)ETHANONE
Brc1ccc(cc1)C(=O)CSc1nnc(n1Cc1ccccc1)c1ccncc1
C1=CC=C(C=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Br)C4=CC=NC=C4
InChI=1SC22H17BrN4OSc23198617(7919)20(28)152922262521(18101224131118)27(22)14164213516h113H1415H2
MFCD02924639
STK024171
ZINC000001162628
ZINC01162628
ZINC1162628

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Available files

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