Vitas-M small molecule compound
1-[10-bromo-6-(2,3-dichlorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509413
SMILES CSc1nnc2c(n1)OC(N(c1c2cc(Br)cc1)C(=O)C)c1cccc(c1Cl)Cl
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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 C19H13BrCl2N4O2S MW 512.21 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H13BrCl2N4O2S/c1-9(27)26-14-7-6-10(20)8-12(14)16-17(23-19(29-2)25-24-16)28-18(26)11-4-3-5-13(21)15(11)22/h3-8,18H,1-2H3InChIKey
VUNJQNPAMUHEJG-UHFFFAOYSA-NSynonyms
1(10bromo6(23dichlorophenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10BROMO6(23DICHLOROPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL10BROMO6(23DICHLOROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CC(=O)N1C(OC2=C(C3=C1C=CC(=C3)Br)N=NC(=N2)SC)C4=C(C(=CC=C4)Cl)Cl
InChI=1SC19H13BrCl2N4O2Sc19(27)26147610(20)812(14)1617(2319(292)252416)2818(26)1143513(21)15(11)22h3818H12H3
MFCD03698488
ZINC000000684774
ZINC000000684775
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