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]-4-bromophenyl acetate
Catalog ID
STK509732
SMILES CSc1nnc2c(n1)OC(c1cc(Br)ccc1OC(=O)C)N(c1c2cccc1)C(=O)C
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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 C21H17BrN4O4S MW 501.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrN4O4S/c1-11(27)26-16-7-5-4-6-14(16)18-19(23-21(31-3)25-24-18)30-20(26)15-10-13(22)8-9-17(15)29-12(2)28/h4-10,20H,1-3H3InChIKey
HCHSQSSNFGMPOD-UHFFFAOYSA-NSynonyms
(2(7acetyl3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin6yl)4bromophenyl)acetate
2(7acetyl3(methylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepin6yl)4bromophenylacetate
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=C(C=CC(=C4)Br)OC(=O)C
InChI=1SC21H17BrN4O4Sc111(27)2616754614(16)1819(2321(313)252418)3020(26)151013(22)8917(15)2912(2)28h41020H13H3
MFCD02378006
ZINC000035655413
ZINC000035655414
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