Vitas-M small molecule compound
1-[6-(5-bromo-2-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
STK980175
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1cc(Br)ccc1OC
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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 C23H21BrN4O3S MW 513.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O3S/c1-4-12-32-23-25-21-20(26-27-23)15-8-6-7-9-17(15)28(19(29)5-2)22(31-21)16-13-14(24)10-11-18(16)30-3/h4,6-11,13,22H,1,5,12H2,2-3H3InChIKey
JSPYHSYGCPPMMO-UHFFFAOYSA-NSynonyms
1(6(5bromo2methoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(5BROMO2METHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
3(ALLYLSULFANYL)6(5BROMO2METHOXYPHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=C(C=CC(=C4)Br)OC
InChI=1SC23H21BrN4O3Sc14123223252120(262723)15867917(15)28(19(29)52)22(3121)161314(24)101118(16)303h46111322H1512H223H3
MFCD03784962
ZINC000002114340
ZINC000002114342
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