Vitas-M small molecule compound
1-[6-(3-bromophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509279
SMILES CSc1nnc2c(n1)OC(c1cccc(c1)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 C19H15BrN4O2S MW 443.32 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15BrN4O2S/c1-11(25)24-15-9-4-3-8-14(15)16-17(21-19(27-2)23-22-16)26-18(24)12-6-5-7-13(20)10-12/h3-10,18H,1-2H3InChIKey
FMSPDHXQGOBMKZ-UHFFFAOYSA-NSynonyms
1(6(3bromophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3BROMOPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC=C4)Br
InChI=1SC19H15BrN4O2Sc111(25)2415943814(15)1617(2119(272)232216)2618(24)1265713(20)1012h31018H12H3
MFCD02376418
ZINC000002878299
ZINC000002878300
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