Vitas-M small molecule compound
2-[7-acetyl-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-methoxyphenyl acetate
Catalog ID
STK980009
SMILES CCCCSc1nnc2c(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 C25H25BrN4O5S MW 573.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O5S/c1-5-6-11-36-25-27-23-21(28-29-25)17-9-7-8-10-20(17)30(14(2)31)24(35-23)18-12-16(33-4)13-19(26)22(18)34-15(3)32/h7-10,12-13,24H,5-6,11H2,1-4H3InChIKey
PXTRTCQSJQZHCJ-UHFFFAOYSA-NSynonyms
(2(7ACETYL3BUTYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)6BROMO4METHOXYPHENYL)ACETATE
2(7acetyl3(butylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6bromo4methoxyphenylacetate
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC(=O)C)Br)OC)C(=O)C)N=N1
InChI=1SC25H25BrN4O5Sc156113625272321(282925)179781020(17)30(14(2)31)24(3523)181216(334)1319(26)22(18)3415(3)32h710121324H5611H214H3
MFCD02326653
ZINC000002094650
ZINC000002094652
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