Vitas-M small molecule compound
1-[6-(3-bromo-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521113
SMILES CCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1ccc(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 C21H19BrN4O3S MW 487.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3S/c1-4-17(27)26-15-8-6-5-7-13(15)18-19(23-21(30-3)25-24-18)29-20(26)12-9-10-16(28-2)14(22)11-12/h5-11,20H,4H2,1-3H3InChIKey
XBSNNPPSDHXGMB-UHFFFAOYSA-NSynonyms
1(6(3bromo4methoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(3BROMO4METHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
2BROMO4(3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENYLMETHYLETHER
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4)OC)Br
InChI=1SC21H19BrN4O3Sc1417(27)2615865713(15)1819(2321(303)252418)2920(26)1291016(282)14(22)1112h51120H4H213H3
MFCD02951962
ZINC000000684305
ZINC000000684306
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