Vitas-M small molecule compound
10-bromo-3-(butylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL482837
SMILES CCCCSc1nnc2c(n1)OC(Nc1c2cc(Br)cc1)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 C24H20BrFN4O2S MW 527.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H20BrFN4O2S/c1-2-3-12-33-24-28-23-21(29-30-24)17-13-15(25)6-9-18(17)27-22(32-23)20-11-10-19(31-20)14-4-7-16(26)8-5-14/h4-11,13,22,27H,2-3,12H2,1H3InChIKey
LMFGSANUQWACNX-UHFFFAOYSA-NSynonyms
10bromo3(butylsulfanyl)6(5(4fluorophenyl)furan2yl)67dihydro(124)triazino(56d)(31)benzoxazepine
10BROMO3BUTYLSULFANYL6(5(4FLUOROPHENYL)FURAN2YL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)F)N=N1
InChI=1SC24H20BrFN4O2Sc123123324282321(293024)171315(25)6918(17)2722(3223)20111019(3120)144716(26)8514h411132227H2312H21H3
MFCD02376844
ZINC000003772520
ZINC000003772521
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