Vitas-M small molecule compound
1-[6-(3-bromo-4,5-dihydroxyphenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509318
SMILES CCCCCCSc1nnc2c(n1)OC(c1cc(O)c(c(c1)Br)O)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 C24H25BrN4O4S MW 545.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN4O4S/c1-3-4-5-8-11-34-24-26-22-20(27-28-24)16-9-6-7-10-18(16)29(14(2)30)23(33-22)15-12-17(25)21(32)19(31)13-15/h6-7,9-10,12-13,23,31-32H,3-5,8,11H2,1-2H3InChIKey
DPSSHZCULOBOGV-UHFFFAOYSA-NSynonyms
1(6(3bromo45dihydroxyphenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3bromo45dihydroxyphenyl)3hexylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)Br)O)O)C(=O)C)N=N1
InChI=1SC24H25BrN4O4Sc13458113424262220(272824)169671018(16)29(14(2)30)23(3322)151217(25)21(32)19(31)1315h679101213233132H35811H212H3
MFCD03235586
ZINC000101009347
ZINC000101009349
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