Vitas-M small molecule compound
1-[6-(3,5-dibromo-4-methoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK980278
SMILES C=CCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)Br)OC)N(c1c2cccc1)C(=O)CC
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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 C23H20Br2N4O3S MW 592.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20Br2N4O3S/c1-4-10-33-23-26-21-19(27-28-23)14-8-6-7-9-17(14)29(18(30)5-2)22(32-21)13-11-15(24)20(31-3)16(25)12-13/h4,6-9,11-12,22H,1,5,10H2,2-3H3InChIKey
RAQNIUJNPIHJFA-UHFFFAOYSA-NSynonyms
1(6(35dibromo4methoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(35DIBROMO4METHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
4(3(ALLYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)26DIBROMOPHENYLMETHYLETHER
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C(=C4)Br)OC)Br
InChI=1SC23H20Br2N4O3Sc14103323262119(272823)14867917(14)29(18(30)52)22(3221)131115(24)20(313)16(25)1213h469111222H1510H223H3
MFCD03784974
ZINC000002114369
ZINC000002114370
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