Vitas-M small molecule compound
1-[6-(1-acetyl-3-phenyl-1H-pyrazol-4-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520968
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cn(nc1c1ccccc1)C(=O)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 C26H24N6O3S MW 500.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N6O3S/c1-4-14-36-26-27-24-23(28-29-26)19-12-8-9-13-21(19)32(17(3)34)25(35-24)20-15-31(16(2)33)30-22(20)18-10-6-5-7-11-18/h5-13,15,25H,4,14H2,1-3H3InChIKey
VAAKLEIPLKFIDP-UHFFFAOYSA-NSynonyms
1(4(7ACETYL3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN6YL)3PHENYLPYRAZOL1YL)ETHANONE
1(6(1acetyl3phenyl1Hpyrazol4yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
7ACETYL6(1ACETYL3PHENYL1HPYRAZOL4YL)3(PROPYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CN(N=C4C5=CC=CC=C5)C(=O)C)C(=O)C)N=N1
InChI=1SC26H24N6O3Sc14143626272423(282926)1912891321(19)32(17(3)34)25(3524)201531(16(2)33)3022(20)18106571118h5131525H414H213H3
MFCD02168438
ZINC000002087249
ZINC000002087251
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