Vitas-M small molecule compound

1-[6-(2,5-dimethylphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521203
SMILES CSc1nnc2c(n1)OC(c1cc(C)ccc1C)N(c1c2cccc1)C(=O)CC

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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-5-18(27)26-17-9-7-6-8-15(17)19-20(23-22(29-4)25-24-19)28-21(26)16-12-13(2)10-11-14(16)3/h6-12,21H,5H2,1-4H3
InChIKey
BMYYXNQEXJEIBP-UHFFFAOYSA-N
Synonyms

1(6(25dimethylphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(25DIMETHYLPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(25DIMETHYLPHENYL)3(METHYLSULFANYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)C)C
InChI=1SC22H22N4O2Sc1518(27)2617976815(17)1920(2322(294)252419)2821(26)161213(2)101114(16)3h61221H5H214H3
MFCD03080342
ZINC000000684368
ZINC000000684369

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Available files

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