Vitas-M small molecule compound
1-[6-(4-ethoxy-3-methylphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK326336
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(c(c1)C)OCC)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 C24H24N4O3S MW 448.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24N4O3S/c1-5-13-32-24-25-22-21(26-27-24)18-9-7-8-10-19(18)28(16(4)29)23(31-22)17-11-12-20(30-6-2)15(3)14-17/h5,7-12,14,23H,1,6,13H2,2-4H3InChIKey
HZQHJOZNHNCOCJ-UHFFFAOYSA-NSynonyms
1(6(4ethoxy3methylphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4ETHOXY3METHYLPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ALLYLSULFANYL)6(4ETHOXY3METHYLPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=C(C=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C)C
InChI=1SC24H24N4O3Sc15133224252221(262724)189781019(18)28(16(4)29)23(3122)17111220(3062)15(3)1417h57121423H1613H224H3
MFCD03080493
ZINC000002113933
ZINC000002113935
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