Vitas-M small molecule compound
1-[6-(2-bromophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521003
SMILES CSc1nnc2c(n1)OC(c1ccccc1Br)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 C20H17BrN4O2S MW 457.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O2S/c1-3-16(26)25-15-11-7-5-9-13(15)17-18(22-20(28-2)24-23-17)27-19(25)12-8-4-6-10-14(12)21/h4-11,19H,3H2,1-2H3InChIKey
AUNLPQSNOYEJTJ-UHFFFAOYSA-NSynonyms
1(6(2bromophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2BROMOPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(2BROMOPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CC=C4Br
InChI=1SC20H17BrN4O2Sc1316(26)25151175913(15)1718(2220(282)242317)2719(25)128461014(12)21h41119H3H212H3
MFCD02376786
ZINC000000684374
ZINC000000684375
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