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]-4-bromo-6-ethoxyphenyl acetate
Catalog ID
STK520816
SMILES CCOc1cc(Br)cc(c1OC(=O)C)C1Oc2nc(SCC)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 C24H23BrN4O5S MW 559.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H23BrN4O5S/c1-5-32-19-12-15(25)11-17(21(19)33-14(4)31)23-29(13(3)30)18-10-8-7-9-16(18)20-22(34-23)26-24(28-27-20)35-6-2/h7-12,23H,5-6H2,1-4H3InChIKey
NPYMESXDWJGBCW-UHFFFAOYSA-NSynonyms
(2(7ACETYL3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4BROMO6ETHOXYPHENYL)ACETATE
2(7acetyl3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4bromo6ethoxyphenylacetate
CCOC1=C(C(=CC(=C1)Br)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC)C(=O)C)OC(=O)C
InChI=1SC24H23BrN4O5Sc1532191215(25)1117(21(19)3314(4)31)2329(13(3)30)181087916(18)2022(3423)2624(282720)3562h71223H56H214H3
MFCD02071110
ZINC000001006735
ZINC000001006736
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