Vitas-M small molecule compound
3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169920
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1ccc(cc1)F
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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 C22H17FN4O2S MW 420.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17FN4O2S/c1-2-30-22-25-21-19(26-27-22)15-5-3-4-6-16(15)24-20(29-21)18-12-11-17(28-18)13-7-9-14(23)10-8-13/h3-12,20,24H,2H2,1H3InChIKey
XLWIZQYDARVREK-UHFFFAOYSA-NSynonyms
3(ethylsulfanyl)6(5(4fluorophenyl)furan2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
3ETHYLSULFANYL6(5(4FLUOROPHENYL)FURAN2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)F)N=N1
InChI=1SC22H17FN4O2Sc123022252119(262722)15534616(15)2420(2921)18121117(2818)137914(23)10813h3122024H2H21H3
MFCD01921744
ZINC000001168843
ZINC000001168844
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