Vitas-M small molecule compound
1-[3-(butylsulfanyl)-6-(3-phenyl-1H-pyrazol-4-yl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980414
SMILES CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)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/c1-3-4-14-34-25-27-23-22(29-30-25)18-12-8-9-13-20(18)31(16(2)32)24(33-23)19-15-26-28-21(19)17-10-6-5-7-11-17/h5-13,15,24H,3-4,14H2,1-2H3,(H,26,28)InChIKey
NYFKWEYDWKRNKL-UHFFFAOYSA-NSynonyms
1(3(butylsulfanyl)6(3phenyl1Hpyrazol4yl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3butylsulfanyl6(5phenyl1Hpyrazol4yl)6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(NN=C4)C5=CC=CC=C5)C(=O)C)N=N1
CCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1c(nH)nc1c1ccccc1
InChI=1SC25H24N6O2Sc134143425272322(293025)1812891320(18)31(16(2)32)24(3323)1915262821(19)17106571117h5131524H3414H212H3(H2628)
MFCD03080509
ZINC000008397349
ZINC000008397355
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