Vitas-M small molecule compound
1-[6-(3-fluorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521753
SMILES CCCSc1nnc2c(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 C21H19FN4O2S MW 410.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19FN4O2S/c1-3-11-29-21-23-19-18(24-25-21)16-9-4-5-10-17(16)26(13(2)27)20(28-19)14-7-6-8-15(22)12-14/h4-10,12,20H,3,11H2,1-2H3InChIKey
VTJNTBVKWVOSGF-UHFFFAOYSA-NSynonyms
1(6(3fluorophenyl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3FLUOROPHENYL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC=C4)F)C(=O)C)N=N1
InChI=1SC21H19FN4O2Sc13112921231918(242521)169451017(16)26(13(2)27)20(2819)1476815(22)1214h4101220H311H212H3
MFCD03718326
ZINC000002823509
ZINC000002823510
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