Vitas-M small molecule compound
1-[6-(3-phenyl-1H-pyrazol-4-yl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521535
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1c[nH]nc1c1ccccc1
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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 C25H24N6O2S MW 472.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N6O2S/c1-3-14-34-25-27-23-22(29-30-25)17-12-8-9-13-19(17)31(20(32)4-2)24(33-23)18-15-26-28-21(18)16-10-6-5-7-11-16/h5-13,15,24H,3-4,14H2,1-2H3,(H,26,28)InChIKey
NFLDWMKKAQWXOJ-UHFFFAOYSA-NSynonyms
1(6(3phenyl1Hpyrazol4yl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(5PHENYL1HPYRAZOL4YL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(3PHENYL1HPYRAZOL4YL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLPROPYLSULFIDE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(NN=C4)C5=CC=CC=C5)C(=O)CC)N=N1
CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1c(nH)nc1c1ccccc1
InChI=1SC25H24N6O2Sc13143425272322(293025)1712891319(17)31(20(32)42)24(3323)1815262821(18)16106571116h5131524H3414H212H3(H2628)
MFCD03271329
ZINC000008397718
ZINC000008397726
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