Vitas-M small molecule compound
1-{6-[2-(benzyloxy)-3,5-dibromophenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK509084
SMILES CSc1nnc2c(n1)OC(c1cc(Br)cc(c1OCc1ccccc1)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 C26H20Br2N4O3S MW 628.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20Br2N4O3S/c1-15(33)32-21-11-7-6-10-18(21)22-24(29-26(36-2)31-30-22)35-25(32)19-12-17(27)13-20(28)23(19)34-14-16-8-4-3-5-9-16/h3-13,25H,14H2,1-2H3InChIKey
AZCSCYSHRUAZQM-UHFFFAOYSA-NSynonyms
1(6(2(benzyloxy)35dibromophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(35dibromo2phenylmethoxyphenyl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OCC5=CC=CC=C5)Br)Br
InChI=1SC26H20Br2N4O3Sc115(33)322111761018(21)2224(2926(362)313022)3525(32)191217(27)1320(28)23(19)3414168435916h31325H14H212H3
MFCD01929848
ZINC000150354288
ZINC000150354291
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