Vitas-M small molecule compound
1-[6-(2,5-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509142
SMILES COc1ccc(c(c1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2)OC
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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 C21H20N4O4S MW 424.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O4S/c1-12(26)25-16-8-6-5-7-14(16)18-19(22-21(30-4)24-23-18)29-20(25)15-11-13(27-2)9-10-17(15)28-3/h5-11,20H,1-4H3InChIKey
YMTZXJCRWWZPDL-UHFFFAOYSA-NSynonyms
1(6(25dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(25DIMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)OC)OC
InChI=1SC21H20N4O4Sc112(26)2516865714(16)1819(2221(304)242318)2920(25)151113(272)91017(15)283h51120H14H3
MFCD01929865
ZINC000000683368
ZINC000000683369
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