Vitas-M small molecule compound
1-[6-(2-chloro-6-fluorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Catalog ID
STK521690
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1c(F)cccc1Cl
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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 C22H20ClFN4O2S MW 458.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClFN4O2S/c1-3-12-31-22-25-20-19(26-27-22)13-8-5-6-11-16(13)28(17(29)4-2)21(30-20)18-14(23)9-7-10-15(18)24/h5-11,21H,3-4,12H2,1-2H3InChIKey
OVOKJRXRIKYOEV-UHFFFAOYSA-NSynonyms
1(6(2chloro6fluorophenyl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2CHLORO6FLUOROPHENYL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
6(2CHLORO6FLUOROPHENYL)7PROPIONYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLPROPYLSULFIDE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC=C4Cl)F)C(=O)CC)N=N1
InChI=1SC22H20ClFN4O2Sc13123122252019(262722)138561116(13)28(17(29)42)21(3020)1814(23)971015(18)24h51121H3412H212H3
MFCD03271305
ZINC000008397666
ZINC000008397670
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