Vitas-M small molecule compound
1-[10-bromo-6-(3,5-dibromo-2-methoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980233
SMILES CCSc1nnc2c(n1)OC(N(c1c2cc(Br)cc1)C(=O)C)c1cc(Br)cc(c1OC)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 C21H17Br3N4O3S MW 645.17 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Br3N4O3S/c1-4-32-21-25-19-17(26-27-21)13-7-11(22)5-6-16(13)28(10(2)29)20(31-19)14-8-12(23)9-15(24)18(14)30-3/h5-9,20H,4H2,1-3H3InChIKey
JUUOJDJXGASUJM-UHFFFAOYSA-NSynonyms
1(10bromo6(35dibromo2methoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10BROMO6(35DIBROMO2METHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
2(7ACETYL10BROMO3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)46DIBROMOPHENYLMETHYLETHER
CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N(C(O2)C4=CC(=CC(=C4OC)Br)Br)C(=O)C)N=N1
InChI=1SC21H17Br3N4O3Sc143221251917(262721)13711(22)5616(13)28(10(2)29)20(3119)14812(23)915(24)18(14)303h5920H4H213H3
MFCD04090698
ZINC000008398715
ZINC000008398720
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