Vitas-M small molecule compound
1-[10-bromo-6-(4-fluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509301
SMILES CSc1nnc2c(n1)OC(c1ccc(cc1)F)N(c1c2cc(Br)cc1)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 C19H14BrFN4O2S MW 461.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrFN4O2S/c1-10(26)25-15-8-5-12(20)9-14(15)16-17(22-19(28-2)24-23-16)27-18(25)11-3-6-13(21)7-4-11/h3-9,18H,1-2H3InChIKey
LMTOJWONAGICNC-UHFFFAOYSA-NSynonyms
1(10bromo6(4fluorophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10BROMO6(4FLUOROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Br)N=NC(=N2)SC)C4=CC=C(C=C4)F
InChI=1SC19H14BrFN4O2Sc110(26)25158512(20)914(15)1617(2219(282)242316)2718(25)113613(21)7411h3918H12H3
MFCD03080558
ZINC000001159703
ZINC000001159704
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