Vitas-M small molecule compound

2,6-dibromo-4-[3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Catalog ID
STL445112
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)c(c(c1)Br)O

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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 C19H16Br2N4O2S MW 524.24 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16Br2N4O2S/c1-2-7-28-19-23-18-15(24-25-19)11-5-3-4-6-14(11)22-17(27-18)10-8-12(20)16(26)13(21)9-10/h3-6,8-9,17,22,26H,2,7H2,1H3
InChIKey
NHSGPTYKNJKXQS-UHFFFAOYSA-N
Synonyms

26dibromo4(3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
26DIBROMO4(3(PROPYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
26DIBROMO4(3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
26DIBROMO4(3PROPYLTHIO(6H7HBENZO(D)124TRIAZINO(65F)13OXAZEPIN6YL))PHENOL
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C(=C4)Br)O)Br)N=N1
InChI=1SC19H16Br2N4O2Sc1272819231815(242519)11534614(11)2217(2718)10812(20)16(26)13(21)910h3689172226H27H21H3
MFCD01018982
ZINC000002912680
ZINC000002912683

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Available files

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