Vitas-M small molecule compound
3-{[1-(4-bromophenyl)-1H-tetrazol-5-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STL351877
SMILES Brc1ccc(cc1)n1nnnc1SC1CCc2c(NC1=O)cccc2
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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 C17H14BrN5OS MW 416.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN5OS/c18-12-6-8-13(9-7-12)23-17(20-21-22-23)25-15-10-5-11-3-1-2-4-14(11)19-16(15)24/h1-4,6-9,15H,5,10H2,(H,19,24)InChIKey
HDQJMYFYVLFOSR-UHFFFAOYSA-NSynonyms
1040702-26-81040702268
3((1(4bromophenyl)1Htetrazol5yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((1(4bromophenyl)1Htetrazol5yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
3(1(4bromophenyl)tetrazol5yl)sulfanyl1345tetrahydro1benzazepin2one
C1CC2=CC=CC=C2NC(=O)C1SC3=NN=NN3C4=CC=C(C=C4)Br
InChI=1SC17H14BrN5OSc18126813(9712)2317(20212223)251510511312414(11)1916(15)24h146915H510H2(H1924)
MFCD12209450
ZINC000020739213
ZINC000020739216
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