Vitas-M small molecule compound
2-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-bromo-4-chlorophenyl acetate
Catalog ID
STK509095
SMILES CSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Cl)cc(c1OC(=O)C)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 C21H16BrClN4O4S MW 535.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrClN4O4S/c1-10(28)27-16-7-5-4-6-13(16)17-19(24-21(32-3)26-25-17)31-20(27)14-8-12(23)9-15(22)18(14)30-11(2)29/h4-9,20H,1-3H3InChIKey
BPLYPRXGPVNUMP-UHFFFAOYSA-NSynonyms
(2(7acetyl3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)6bromo4chlorophenyl)acetate
2(7acetyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)6bromo4chlorophenylacetate
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OC(=O)C)Br)Cl
InChI=1SC21H16BrClN4O4Sc110(28)2716754613(16)1719(2421(323)262517)3120(27)14812(23)915(22)18(14)3011(2)29h4920H13H3
MFCD02378018
ZINC000101003617
ZINC000101003619
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