Vitas-M small molecule compound

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

Catalog ID
STK521155
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Br)cc(c1OC(=O)C)OCC

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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 C25H23BrN4O5S MW 571.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23BrN4O5S/c1-5-11-36-25-27-23-21(28-29-25)17-9-7-8-10-19(17)30(14(3)31)24(35-23)18-12-16(26)13-20(33-6-2)22(18)34-15(4)32/h5,7-10,12-13,24H,1,6,11H2,2-4H3
InChIKey
NKWHNKNILKVLQQ-UHFFFAOYSA-N
Synonyms

(2(7ACETYL3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4BROMO6ETHOXYPHENYL)ACETATE
2(7ACETYL3(ALLYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)4BROMO6ETHOXYPHENYLACETATE
2(7acetyl3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4bromo6ethoxyphenylacetate
CCOC1=C(C(=CC(=C1)Br)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C)OC(=O)C
InChI=1SC25H23BrN4O5Sc15113625272321(282925)179781019(17)30(14(3)31)24(3523)181216(26)1320(3362)22(18)3415(4)32h5710121324H1611H224H3
MFCD02952123
ZINC000002113699
ZINC000002113702

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Available files

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