Vitas-M small molecule compound
1-[6-(2,4-dimethoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521215
SMILES C=CCSc1nnc2c(n1)OC(c1ccc(cc1OC)OC)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 C23H22N4O4S MW 450.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N4O4S/c1-5-12-32-23-24-21-20(25-26-23)16-8-6-7-9-18(16)27(14(2)28)22(31-21)17-11-10-15(29-3)13-19(17)30-4/h5-11,13,22H,1,12H2,2-4H3InChIKey
YXGYURBOZZOZSQ-UHFFFAOYSA-NSynonyms
1(6(24dimethoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(24dimethoxyphenyl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=C(C=C(C=C4)OC)OC
InChI=1SC23H22N4O4Sc15123223242120(252623)16867918(16)27(14(2)28)22(3121)17111015(293)1319(17)304h5111322H112H224H3
MFCD03080455
ZINC000002470574
ZINC000002470578
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