Vitas-M small molecule compound
1-[10-bromo-6-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980247
SMILES CCSc1nnc2c(n1)OC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)N(c1c2cc(Br)cc1)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 C28H33BrN4O3S MW 585.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33BrN4O3S/c1-9-37-26-30-24-22(31-32-26)18-14-17(29)10-11-21(18)33(15(2)34)25(36-24)16-12-19(27(3,4)5)23(35)20(13-16)28(6,7)8/h10-14,25,35H,9H2,1-8H3InChIKey
JXIWWQKHXJWIOF-UHFFFAOYSA-NSynonyms
1(10bromo6(35ditertbutyl4hydroxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10BROMO6(35DITERTBUTYL4HYDROXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
4(7ACETYL10BROMO3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)26DITERTBUTYLPHENOL
CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N(C(O2)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C(=O)C)N=N1
InChI=1SC28H33BrN4O3Sc193726302422(313226)181417(29)101121(18)33(15(2)34)25(3624)161219(27(34)5)23(35)20(1316)28(67)8h10142535H9H218H3
MFCD03864521
ZINC000002122509
ZINC000002122511
Check stock
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