Vitas-M small molecule compound
6-[5-(3-chlorophenyl)furan-2-yl]-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169786
SMILES CCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1cccc(c1)Cl
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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 C22H17ClN4O2S MW 436.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN4O2S/c1-2-30-22-25-21-19(26-27-22)15-8-3-4-9-16(15)24-20(29-21)18-11-10-17(28-18)13-6-5-7-14(23)12-13/h3-12,20,24H,2H2,1H3InChIKey
MAXYTZPHCXEJJU-UHFFFAOYSA-NSynonyms
6(5(3chlorophenyl)furan2yl)3(ethylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(3chlorophenyl)furan2yl)3ethylsulfanyl67dihydro(124)triazino(56d)(31)benzoxazepine
CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC(=CC=C5)Cl)N=N1
InChI=1SC22H17ClN4O2Sc123022252119(262722)15834916(15)2420(2921)18111017(2818)1365714(23)1213h3122024H2H21H3
MFCD02242686
ZINC000002739869
ZINC000002739870
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