Vitas-M small molecule compound
1-[6-(4-ethoxy-3-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509277
SMILES CCOc1ccc(cc1C)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2
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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 C22H22N4O3S MW 422.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O3S/c1-5-28-18-11-10-15(12-13(18)2)21-26(14(3)27)17-9-7-6-8-16(17)19-20(29-21)23-22(30-4)25-24-19/h6-12,21H,5H2,1-4H3InChIKey
QXGTYVVGISQIIJ-UHFFFAOYSA-NSynonyms
1(6(4ethoxy3methylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4ETHOXY3METHYLPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCOC1=C(C=C(C=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C)C
InChI=1SC22H22N4O3Sc152818111015(1213(18)2)2126(14(3)27)17976816(17)1920(2921)2322(304)252419h61221H5H214H3
MFCD02376146
ZINC000001168950
ZINC000001168951
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