Vitas-M small molecule compound

1-[6-(3,5-dibromo-2-ethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521164
SMILES CCOc1c(Br)cc(cc1C1Oc2nc(SC)nnc2c2c(N1C(=O)CC)cccc2)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 C22H20Br2N4O3S MW 580.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Br2N4O3S/c1-4-17(29)28-16-9-7-6-8-13(16)18-20(25-22(32-3)27-26-18)31-21(28)14-10-12(23)11-15(24)19(14)30-5-2/h6-11,21H,4-5H2,1-3H3
InChIKey
NAGCEQKOCFTMPN-UHFFFAOYSA-N
Synonyms

1(6(35dibromo2ethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(35DIBROMO2ETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
24DIBROMO6(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLETHYLETHER
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OCC)Br)Br
InChI=1SC22H20Br2N4O3Sc1417(29)2816976813(16)1820(2522(323)272618)3121(28)141012(23)1115(24)19(14)3052h61121H45H213H3
MFCD02952051
ZINC000000684464
ZINC000000684465

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Available files

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