Vitas-M small molecule compound
4-[7-acetyl-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-5-bromo-2-methoxyphenyl acetate
Catalog ID
STK509532
SMILES COc1cc(c(cc1OC(=O)C)Br)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2
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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 C22H19BrN4O5S MW 531.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrN4O5S/c1-11(28)27-16-8-6-5-7-13(16)19-20(24-22(33-4)26-25-19)32-21(27)14-9-17(30-3)18(10-15(14)23)31-12(2)29/h5-10,21H,1-4H3InChIKey
IOMJRTLHWAPJFR-UHFFFAOYSA-NSynonyms
(4(7acetyl3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)5bromo2methoxyphenyl)acetate
4(7acetyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)5bromo2methoxyphenylacetate
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=C(C=C4Br)OC(=O)C)OC
InChI=1SC22H19BrN4O5Sc111(28)2716865713(16)1920(2422(334)262519)3221(27)14917(303)18(1015(14)23)3112(2)29h51021H14H3
MFCD02376398
ZINC000100827173
ZINC000100827175
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