Vitas-M small molecule compound
1-[6-(6-methylpyridin-2-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980098
SMILES CCCC(=O)N1C(Oc2c(c3c1cccc3)nnc(n2)SC)c1cccc(n1)C
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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 C21H21N5O2S MW 407.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N5O2S/c1-4-8-17(27)26-16-12-6-5-10-14(16)18-19(23-21(29-3)25-24-18)28-20(26)15-11-7-9-13(2)22-15/h5-7,9-12,20H,4,8H2,1-3H3InChIKey
UBGNGZWBANPGTD-UHFFFAOYSA-NSynonyms
1(6(6methylpyridin2yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(6METHYLPYRIDIN2YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=NC(=CC=C4)C
InChI=1SC21H21N5O2Sc14817(27)261612651014(16)1819(2321(293)252418)2820(26)15117913(2)2215h5791220H48H213H3
MFCD03080488
ZINC000000684720
ZINC000000684721
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