Vitas-M small molecule compound
1-[6-(3,5-di-tert-butyl-4-hydroxyphenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520925
SMILES CCCSc1nnc2c(n1)OC(c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)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 C29H36N4O3S MW 520.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H36N4O3S/c1-9-14-37-27-30-25-23(31-32-27)19-12-10-11-13-22(19)33(17(2)34)26(36-25)18-15-20(28(3,4)5)24(35)21(16-18)29(6,7)8/h10-13,15-16,26,35H,9,14H2,1-8H3InChIKey
KKJZLFSEDCKZAC-UHFFFAOYSA-NSynonyms
1(6(35ditertbutyl4hydroxyphenyl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(35DITERTBUTYL4HYDROXYPHENYL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
4(7ACETYL3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)26DITERTBUTYLPHENOL
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)C(C)(C)C)O)C(C)(C)C)C(=O)C)N=N1
InChI=1SC29H36N4O3Sc19143727302523(313227)191210111322(19)33(17(2)34)26(3625)181520(28(34)5)24(35)21(1618)29(67)8h101315162635H914H218H3
MFCD02071224
ZINC000002087117
ZINC000002087118
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