Vitas-M small molecule compound
1-{6-[5-(4-bromophenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethanone
Catalog ID
STK509145
SMILES CSc1nnc2c(n1)OC(c1ccc(o1)c1ccc(cc1)Br)N(c1c2cccc1)C(=O)C
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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 C23H17BrN4O3S MW 509.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17BrN4O3S/c1-13(29)28-17-6-4-3-5-16(17)20-21(25-23(32-2)27-26-20)31-22(28)19-12-11-18(30-19)14-7-9-15(24)10-8-14/h3-12,22H,1-2H3InChIKey
MTABLWDLTKLFNU-UHFFFAOYSA-NSynonyms
1(6(5(4bromophenyl)furan2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5(4BROMOPHENYL)FURAN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5(4BROMOPHENYL)2FURYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=C(O4)C5=CC=C(C=C5)Br
InChI=1SC23H17BrN4O3Sc113(29)2817643516(17)2021(2523(322)272620)3122(28)19121118(3019)147915(24)10814h31222H12H3
MFCD01929858
ZINC000000683356
ZINC000000683357
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