Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980057
SMILES CCCCSc1nnc2c(n1)OC(c1cccc(c1)F)N(c1c2cccc1)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 C22H21FN4O2S MW 424.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21FN4O2S/c1-3-4-12-30-22-24-20-19(25-26-22)17-10-5-6-11-18(17)27(14(2)28)21(29-20)15-8-7-9-16(23)13-15/h5-11,13,21H,3-4,12H2,1-2H3InChIKey
FLQULYDBYPTTSA-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(3fluorophenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3BUTYLSULFANYL6(3FLUOROPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(BUTYLSULFANYL)6(3FLUOROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC=C4)F)C(=O)C)N=N1
InChI=1SC22H21FN4O2Sc134123022242019(252622)1710561118(17)27(14(2)28)21(2920)1587916(23)1315h5111321H3412H212H3
MFCD02376809
ZINC000002094938
ZINC000002094940
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