Vitas-M small molecule compound

1-[6-(2-fluorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one

Catalog ID
STK521331
SMILES CCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)CC)c1ccccc1F

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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 C22H21FN4O2S MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O2S/c1-3-13-30-22-24-20-19(25-26-22)15-10-6-8-12-17(15)27(18(28)4-2)21(29-20)14-9-5-7-11-16(14)23/h5-12,21H,3-4,13H2,1-2H3
InChIKey
RTCJOKLOMQXODL-UHFFFAOYSA-N
Synonyms

1(6(2fluorophenyl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)propan1one
1(6(2FLUOROPHENYL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)PROPAN1ONE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4F)C(=O)CC)N=N1
InChI=1SC22H21FN4O2Sc13133022242019(252622)1510681217(15)27(18(28)42)21(2920)149571116(14)23h51221H3413H212H3
MFCD03235579
ZINC000003000907
ZINC000003000908

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Available files

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