Vitas-M small molecule compound
1-[3-(ethylsulfanyl)-6-(2-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520924
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)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 C20H17FN4O2S MW 396.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17FN4O2S/c1-3-28-20-22-18-17(23-24-20)14-9-5-7-11-16(14)25(12(2)26)19(27-18)13-8-4-6-10-15(13)21/h4-11,19H,3H2,1-2H3InChIKey
GRAWDKGZKRRKRG-UHFFFAOYSA-NSynonyms
1(3(ethylsulfanyl)6(2fluorophenyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(3ETHYLSULFANYL6(2FLUOROPHENYL)6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC=CC=C4F)C(=O)C)N=N1
InChI=1SC20H17FN4O2Sc132820221817(232420)149571116(14)25(12(2)26)19(2718)138461015(13)21h41119H3H212H3
MFCD02071050
ZINC000002977733
ZINC000002977734
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