Vitas-M small molecule compound
1-[6-(2-chloro-6-fluorophenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521177
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(F)cccc1Cl
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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 C21H16ClFN4O2S MW 442.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClFN4O2S/c1-3-11-30-21-24-19-18(25-26-21)13-7-4-5-10-16(13)27(12(2)28)20(29-19)17-14(22)8-6-9-15(17)23/h3-10,20H,1,11H2,2H3InChIKey
PMQUCLBJRMCWRZ-UHFFFAOYSA-NSynonyms
1(6(2chloro6fluorophenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2chloro6fluorophenyl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SCC=C)C4=C(C=CC=C4Cl)F
InChI=1SC21H16ClFN4O2Sc13113021241918(252621)137451016(13)27(12(2)28)20(2919)1714(22)86915(17)23h31020H111H22H3
MFCD03080478
ZINC000015016047
ZINC000015016048
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