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-ethoxyphenyl acetate
Catalog ID
STK521052
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(c(c1)OCC)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 C25H24N4O5S MW 492.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5S/c1-5-13-35-25-26-23-22(27-28-25)18-9-7-8-10-19(18)29(15(3)30)24(34-23)17-11-12-20(33-16(4)31)21(14-17)32-6-2/h5,7-12,14,24H,1,6,13H2,2-4H3InChIKey
TYYWQKGOAITUAW-UHFFFAOYSA-NSynonyms
(4(7ACETYL3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2ETHOXYPHENYL)ACETATE
4(7ACETYL3(ALLYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)2ETHOXYPHENYLACETATE
4(7acetyl3(prop2en1ylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)2ethoxyphenylacetate
CCOC1=C(C=CC(=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C)OC(=O)C
InChI=1SC25H24N4O5Sc15133525262322(272825)189781019(18)29(15(3)30)24(3423)17111220(3316(4)31)21(1417)3262h57121424H1613H224H3
MFCD02952104
ZINC000002113626
ZINC000002113629
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