Vitas-M small molecule compound

1-[6-(6-bromo-1,3-benzodioxol-5-yl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509241
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc2OCOc2cc1Br

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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 C25H25BrN4O4S MW 557.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O4S/c1-3-4-5-8-11-35-25-27-23-22(28-29-25)16-9-6-7-10-19(16)30(15(2)31)24(34-23)17-12-20-21(13-18(17)26)33-14-32-20/h6-7,9-10,12-13,24H,3-5,8,11,14H2,1-2H3
InChIKey
PILSGNZPZRGQLX-UHFFFAOYSA-N
Synonyms

1(6(6bromo13benzodioxol5yl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(6BROMO13BENZODIOXOL5YL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(6BROMO13BENZODIOXOL5YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLHEXYLSULFIDE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC5=C(C=C4Br)OCO5)C(=O)C)N=N1
InChI=1SC25H25BrN4O4Sc13458113525272322(282925)169671019(16)30(15(2)31)24(3423)17122021(1318(17)26)33143220h67910121324H3581114H212H3
MFCD02952005
ZINC000002104465
ZINC000002104467

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Available files

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