Vitas-M small molecule compound
2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-4-bromo-6-ethoxyphenyl acetate
Catalog ID
STK509097
SMILES CCOc1cc(Br)cc(c1OC(=O)C)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2
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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 C23H21BrN4O5S MW 545.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O5S/c1-5-31-18-11-14(24)10-16(20(18)32-13(3)30)22-28(12(2)29)17-9-7-6-8-15(17)19-21(33-22)25-23(34-4)27-26-19/h6-11,22H,5H2,1-4H3InChIKey
XWLWEYVLIQLSSI-UHFFFAOYSA-NSynonyms
(2(7acetyl3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)4bromo6ethoxyphenyl)acetate
2(7acetyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4bromo6ethoxyphenylacetate
CCOC1=C(C(=CC(=C1)Br)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C)OC(=O)C
InChI=1SC23H21BrN4O5Sc1531181114(24)1016(20(18)3213(3)30)2228(12(2)29)17976815(17)1921(3322)2523(344)272619h61122H5H214H3
MFCD02378031
ZINC000059503773
ZINC000059503774
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