Vitas-M small molecule compound
6-(5-bromo-2-methoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169817
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)ccc1OC
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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 C22H23BrN4O2S MW 487.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23BrN4O2S/c1-3-4-7-12-30-22-25-21-19(26-27-22)15-8-5-6-9-17(15)24-20(29-21)16-13-14(23)10-11-18(16)28-2/h5-6,8-11,13,20,24H,3-4,7,12H2,1-2H3InChIKey
UFTGIQVORLSBAN-UHFFFAOYSA-NSynonyms
4BROMO2(3(PENTYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
6(5bromo2methoxyphenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5BROMO2METHOXYPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)Br)OC)N=N1
InChI=1SC22H23BrN4O2Sc1347123022252119(262722)15856917(15)2420(2921)161314(23)101118(16)282h56811132024H34712H212H3
MFCD01647703
ZINC000002083831
ZINC000002083832
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