Vitas-M small molecule compound
6-[5-(4-bromophenyl)furan-2-yl]-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL482821
SMILES CCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1ccc(cc1)Br
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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 C23H19BrN4O2S MW 495.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O2S/c1-2-13-31-23-26-22-20(27-28-23)16-5-3-4-6-17(16)25-21(30-22)19-12-11-18(29-19)14-7-9-15(24)10-8-14/h3-12,21,25H,2,13H2,1H3InChIKey
KSHHGDTYWGBQEL-UHFFFAOYSA-NSynonyms
6(5(4BROMOPHENYL)2FURYL)3(PROPYLTHIO)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
6(5(4bromophenyl)furan2yl)3(propylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(4BROMOPHENYL)FURAN2YL)3PROPYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)Br)N=N1
InChI=1SC23H19BrN4O2Sc12133123262220(272823)16534617(16)2521(3022)19121118(2919)147915(24)10814h3122125H213H21H3
MFCD01030383
ZINC000002911506
ZINC000002911508
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