Vitas-M small molecule compound
2,4,6-tribromo-3-[3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Catalog ID
STL169820
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1c(Br)cc(c(c1Br)O)Br
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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 C21H19Br3N4O2S MW 631.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19Br3N4O2S/c1-2-3-6-9-31-21-26-20-17(27-28-21)11-7-4-5-8-14(11)25-19(30-20)15-12(22)10-13(23)18(29)16(15)24/h4-5,7-8,10,19,25,29H,2-3,6,9H2,1H3InChIKey
FDCDFNKOWJCIJW-UHFFFAOYSA-NSynonyms
352700-71-1246tribromo3(3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
246TRIBROMO3(3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
352700711
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C(=C(C=C4Br)Br)O)Br)N=N1
InChI=1SC21H19Br3N4O2Sc123693121262017(272821)11745814(11)2519(3020)1512(22)1013(23)18(29)16(15)24h457810192529H2369H21H3
MFCD01647996
ZINC000008432023
ZINC000008432024
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