Vitas-M small molecule compound
2-[7-acetyl-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-methoxyphenyl acetate
Catalog ID
STK522159
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(OC)cc(c1OC(=O)C)Br
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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/c1-5-34-23-25-21-19(26-27-23)15-8-6-7-9-18(15)28(12(2)29)22(33-21)16-10-14(31-4)11-17(24)20(16)32-13(3)30/h6-11,22H,5H2,1-4H3InChIKey
RJIWAQATNJSFSA-UHFFFAOYSA-NSynonyms
(2(7acetyl3ethylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)6bromo4methoxyphenyl)acetate
2(7acetyl3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6bromo4methoxyphenylacetate
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC(=O)C)Br)OC)C(=O)C)N=N1
InChI=1SC23H21BrN4O5Sc153423252119(262723)15867918(15)28(12(2)29)22(3321)161014(314)1117(24)20(16)3213(3)30h61122H5H214H3
MFCD13370989
ZINC000102389803
ZINC000102389806
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