Vitas-M small molecule compound
6-[5-(3-bromophenyl)furan-2-yl]-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Catalog ID
STL169921
SMILES CSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(o1)c1cccc(c1)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 C21H15BrN4O2S MW 467.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15BrN4O2S/c1-29-21-24-20-18(25-26-21)14-7-2-3-8-15(14)23-19(28-20)17-10-9-16(27-17)12-5-4-6-13(22)11-12/h2-11,19,23H,1H3InChIKey
YCMFAVFFYKVTGQ-UHFFFAOYSA-NSynonyms
6(5(3BROMOPHENYL)(2FURYL))3METHYLTHIO6H7HBENZO(D)124TRIAZINO(65F)13OXAZEPINE
6(5(3bromophenyl)furan2yl)3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(5(3BROMOPHENYL)FURAN2YL)3METHYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC(=CC=C5)Br)N=N1
InChI=1SC21H15BrN4O2Sc12921242018(252621)14723815(14)2319(2820)1710916(2717)1254613(22)1112h2111923H1H3
MFCD01921716
ZINC000002749754
ZINC000002749755
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