Vitas-M small molecule compound
1-[6-(3,5-dibromo-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521029
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cc(Br)c(c(c1)Br)OC
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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 C21H18Br2N4O3S MW 566.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Br2N4O3S/c1-4-16(28)27-15-8-6-5-7-12(15)17-19(24-21(31-3)26-25-17)30-20(27)11-9-13(22)18(29-2)14(23)10-11/h5-10,20H,4H2,1-3H3InChIKey
ZFRGJYOCFJSXQG-UHFFFAOYSA-NSynonyms
1(6(35dibromo4methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(35DIBROMO4METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(35DIBROMO4METHOXYPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C(=C4)Br)OC)Br
InChI=1SC21H18Br2N4O3Sc1416(28)2715865712(15)1719(2421(313)262517)3020(27)11913(22)18(292)14(23)1011h51020H4H213H3
MFCD02376917
ZINC000000684452
ZINC000000684453
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