Vitas-M small molecule compound
8-bromo-N-(2,4-dimethylphenyl)-3-ethyl-2-methyl-4-thioxo-3,4,5,6-tetrahydro-2H-2,6-methano-1,3,5-benzoxadiazocine-11-carboxamide
Catalog ID
STL192508
SMILES CCN1C(=S)NC2C(C1(C)Oc1c2cc(cc1)Br)C(=O)Nc1ccc(cc1C)C
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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 C22H24BrN3O2S MW 474.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24BrN3O2S/c1-5-26-21(29)25-19-15-11-14(23)7-9-17(15)28-22(26,4)18(19)20(27)24-16-8-6-12(2)10-13(16)3/h6-11,18-19H,5H2,1-4H3,(H,24,27)(H,25,29)InChIKey
LCNULEUZETYHOQ-UHFFFAOYSA-NSynonyms
1023549-22-51023549225
8bromoN(24dimethylphenyl)3ethyl2methyl4thioxo3456tetrahydro2H26methano135benzoxadiazocine11carboxamide
CCN1C(=S)NC2C(C1(OC3=C2C=C(C=C3)Br)C)C(=O)NC4=C(C=C(C=C4)C)C
InChI=1SC22H24BrN3O2Sc152621(29)2519151114(23)7917(15)2822(264)18(19)20(27)24168612(2)1013(16)3h6111819H5H214H3(H2427)(H2529)
MFCD15086218
ZINC000100031915
ZINC000242548100
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