Vitas-M small molecule compound

4-[7-acetyl-3-(prop-2-en-1-ylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-bromo-6-methoxyphenyl acetate

Catalog ID
STK521103
SMILES C=CCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)OC)OC(=O)C)N(c1c2cccc1)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 C24H21BrN4O5S MW 557.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21BrN4O5S/c1-5-10-35-24-26-22-20(27-28-24)16-8-6-7-9-18(16)29(13(2)30)23(34-22)15-11-17(25)21(33-14(3)31)19(12-15)32-4/h5-9,11-12,23H,1,10H2,2-4H3
InChIKey
XPJVXHYKLVIERN-UHFFFAOYSA-N
Synonyms

(4(7ACETYL3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2BROMO6METHOXYPHENYL)ACETATE
4(7ACETYL3(ALLYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2BROMO6METHOXYPHENYLACETATE
4(7acetyl3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2bromo6methoxyphenylacetate
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=CC(=C(C(=C4)Br)OC(=O)C)OC
InChI=1SC24H21BrN4O5Sc15103524262220(272824)16867918(16)29(13(2)30)23(3422)151117(25)21(3314(3)31)19(1215)324h59111223H110H224H3
MFCD02952125
ZINC000002113707
ZINC000002113709

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Available files

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