Vitas-M small molecule compound
1-[6-(2-fluorophenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509210
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1ccccc1F
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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 C24H25FN4O2S MW 452.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25FN4O2S/c1-3-4-5-10-15-32-24-26-22-21(27-28-24)18-12-7-9-14-20(18)29(16(2)30)23(31-22)17-11-6-8-13-19(17)25/h6-9,11-14,23H,3-5,10,15H2,1-2H3InChIKey
NIEHSLNQWQBAFP-UHFFFAOYSA-NSynonyms
1(6(2fluorophenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2FLUOROPHENYL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(2FLUOROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLHEXYLSULFIDE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4F)C(=O)C)N=N1
InChI=1SC24H25FN4O2Sc134510153224262221(272824)1812791420(18)29(16(2)30)23(3122)1711681319(17)25h69111423H351015H212H3
MFCD02376865
ZINC000002104007
ZINC000002104009
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