Vitas-M small molecule compound
3-{[5-(4-bromophenyl)-4-cyclopropyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
Catalog ID
STL351730
SMILES Brc1ccc(cc1)c1nnc(n1C1CC1)SC1CCc2c(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 C21H19BrN4OS MW 455.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4OS/c22-15-8-5-14(6-9-15)19-24-25-21(26(19)16-10-11-16)28-18-12-7-13-3-1-2-4-17(13)23-20(18)27/h1-6,8-9,16,18H,7,10-12H2,(H,23,27)InChIKey
WXBIWAXPMFHPMH-UHFFFAOYSA-NSynonyms
1040704-15-11040704151
3((5(4bromophenyl)4cyclopropyl124triazol3yl)sulfanyl)1345tetrahydro1benzazepin2one
3((5(4bromophenyl)4cyclopropyl4H124triazol3yl)sulfanyl)1345tetrahydro2H1benzazepin2one
3((5(4bromophenyl)4cyclopropyl4H124triazol3yl)thio)45dihydro1Hbenzo(b)azepin2(3H)one
C1CC1N2C(=NN=C2SC3CCC4=CC=CC=C4NC3=O)C5=CC=C(C=C5)Br
InChI=1SC21H19BrN4OSc22158514(6915)19242521(26(19)16101116)281812713312417(13)2320(18)27h16891618H71012H2(H2327)
MFCD12208167
ZINC000020731797
ZINC000020731801
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