Vitas-M small molecule compound
1-[6-(3,5-dibromo-4-methoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520810
SMILES CCSc1nnc2c(n1)OC(c1cc(Br)c(c(c1)Br)OC)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 C21H18Br2N4O3S MW 566.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18Br2N4O3S/c1-4-31-21-24-19-17(25-26-21)13-7-5-6-8-16(13)27(11(2)28)20(30-19)12-9-14(22)18(29-3)15(23)10-12/h5-10,20H,4H2,1-3H3InChIKey
VMHDDYWVCBILKM-UHFFFAOYSA-NSynonyms
1(6(35dibromo4methoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(35DIBROMO4METHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(35DIBROMO4METHOXYPHENYL)3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=C(C(=C4)Br)OC)Br)C(=O)C)N=N1
InChI=1SC21H18Br2N4O3Sc143121241917(252621)13756816(13)27(11(2)28)20(3019)12914(22)18(293)15(23)1012h51020H4H213H3
MFCD02071163
ZINC000002086982
ZINC000002086983
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