Vitas-M small molecule compound

1-[6-(5-bromofuran-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK508861
SMILES CSc1nnc2c(n1)OC(c1ccc(o1)Br)N(c1c2cccc1)C(=O)C

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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 C17H13BrN4O3S MW 433.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13BrN4O3S/c1-9(23)22-11-6-4-3-5-10(11)14-15(19-17(26-2)21-20-14)25-16(22)12-7-8-13(18)24-12/h3-8,16H,1-2H3
InChIKey
AXVZRKIJKUFNFN-UHFFFAOYSA-N
Synonyms

1(6(5bromofuran2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5BROMOFURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5BROMO2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)Br
InChI=1SC17H13BrN4O3Sc19(23)2211643510(11)1415(1917(262)212014)2516(22)127813(18)2412h3816H12H3
MFCD01929852
ZINC000000683352
ZINC000000683353

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Available files

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