Vitas-M small molecule compound

2-bromo-6-ethoxy-4-[3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Catalog ID
STL169718
SMILES CCOc1cc(cc(c1O)Br)C1Nc2ccccc2c2c(O1)nc(SC)nn2

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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 C19H17BrN4O3S MW 461.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17BrN4O3S/c1-3-26-14-9-10(8-12(20)16(14)25)17-21-13-7-5-4-6-11(13)15-18(27-17)22-19(28-2)24-23-15/h4-9,17,21,25H,3H2,1-2H3
InChIKey
LGCBJOUXQIDDFT-UHFFFAOYSA-N
Synonyms
331867-58-4
2bromo6ethoxy4(3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)phenol
2BROMO6ETHOXY4(3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)PHENOL
331867584
CCOC1=C(C(=CC(=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)Br)O
InChI=1SC19H17BrN4O3Sc132614910(812(20)16(14)25)172113754611(13)1518(2717)2219(282)242315h49172125H3H212H3
MFCD01064992
ZINC000000649769
ZINC000000649770

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Available files

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