Vitas-M small molecule compound
1-[6-(4-methoxy-3-methylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509527
SMILES COc1ccc(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 C21H20N4O3S MW 408.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O3S/c1-12-11-14(9-10-17(12)27-3)20-25(13(2)26)16-8-6-5-7-15(16)18-19(28-20)22-21(29-4)24-23-18/h5-11,20H,1-4H3InChIKey
ZAJDEAMLHFXAHI-UHFFFAOYSA-NSynonyms
1(6(4methoxy3methylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(4methoxy3methylphenyl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC1=C(C=CC(=C1)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C)OC
InChI=1SC21H20N4O3Sc1121114(91017(12)273)2025(13(2)26)16865715(16)1819(2820)2221(294)242318h51120H14H3
MFCD02376447
ZINC000006727500
ZINC000006727502
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