Vitas-M small molecule compound

[6-(2-bromophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl](phenyl)methanone

Catalog ID
STK521677
SMILES CSc1nnc2c(n1)OC(c1ccccc1Br)N(c1c2cccc1)C(=O)c1ccccc1

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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 C24H17BrN4O2S MW 505.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17BrN4O2S/c1-32-24-26-21-20(27-28-24)17-12-6-8-14-19(17)29(22(30)15-9-3-2-4-10-15)23(31-21)16-11-5-7-13-18(16)25/h2-14,23H,1H3
InChIKey
CYQVRIAKXLNUGV-UHFFFAOYSA-N
Synonyms

(6(2bromophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)(phenyl)methanone
(6(2BROMOPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PHENYLMETHANONE
7BENZOYL6(2BROMOPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4Br)C(=O)C5=CC=CC=C5)N=N1
InChI=1SC24H17BrN4O2Sc13224262120(272824)1712681419(17)29(22(30)1593241015)23(3121)1611571318(16)25h21423H1H3
MFCD03080520
ZINC000002114017
ZINC000002114019

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Available files

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