Vitas-M small molecule compound
1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Catalog ID
STK980080
SMILES CCCC(=O)N1c2ccccc2c2c(OC1c1c(C)nn(c1Cl)c1ccccc1)nc(nn2)SC
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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 C25H23ClN6O2S MW 507.02 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23ClN6O2S/c1-4-10-19(33)31-18-14-9-8-13-17(18)21-23(27-25(35-3)29-28-21)34-24(31)20-15(2)30-32(22(20)26)16-11-6-5-7-12-16/h5-9,11-14,24H,4,10H2,1-3H3InChIKey
MNIQVFVIDUOVFP-UHFFFAOYSA-NSynonyms
1(6(5chloro3methyl1phenyl1Hpyrazol4yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)butan1one
1(6(5CHLORO3METHYL1PHENYLPYRAZOL4YL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)BUTAN1ONE
7BUTYRYL6(5CHLORO3METHYL1PHENYL1HPYRAZOL4YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLMETHYLSULFIDE
CCCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(N(N=C4C)C5=CC=CC=C5)Cl
InChI=1SC25H23ClN6O2Sc141019(33)311814981317(18)2123(2725(353)292821)3424(31)2015(2)3032(22(20)26)16116571216h59111424H410H213H3
MFCD03080482
ZINC000000684712
ZINC000000684713
Check stock
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Check stock on Vitas-MAvailable files
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