Vitas-M small molecule compound
1-[6-(3-bromophenyl)-10-chloro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521970
SMILES CSc1nnc2c(n1)OC(c1cccc(c1)Br)N(c1c2cc(Cl)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 C19H14BrClN4O2S MW 477.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H14BrClN4O2S/c1-10(26)25-15-7-6-13(21)9-14(15)16-17(22-19(28-2)24-23-16)27-18(25)11-4-3-5-12(20)8-11/h3-9,18H,1-2H3InChIKey
YQCCXDYFULSIAS-UHFFFAOYSA-NSynonyms
1(6(3bromophenyl)10chloro3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3BROMOPHENYL)10CHLORO3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(3BROMOPHENYL)10CHLORO3(METHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Cl)N=NC(=N2)SC)C4=CC(=CC=C4)Br
InChI=1SC19H14BrClN4O2Sc110(26)25157613(21)914(15)1617(2219(282)242316)2718(25)1143512(20)811h3918H12H3
MFCD03864530
ZINC000000684890
ZINC000000684891
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