Vitas-M small molecule compound
1-[6-(2-bromo-5-ethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509388
SMILES CCOc1ccc(c(c1)C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2)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 C21H19BrN4O3S MW 487.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O3S/c1-4-28-13-9-10-16(22)15(11-13)20-26(12(2)27)17-8-6-5-7-14(17)18-19(29-20)23-21(30-3)25-24-18/h5-11,20H,4H2,1-3H3InChIKey
YUVDYYHTWQVTFW-UHFFFAOYSA-NSynonyms
1(6(2bromo5ethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2BROMO5ETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCOC1=CC(=C(C=C1)Br)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SC)C(=O)C
InChI=1SC21H19BrN4O3Sc14281391016(22)15(1113)2026(12(2)27)17865714(17)1819(2920)2321(303)252418h51120H4H213H3
MFCD02376393
ZINC000002878315
ZINC000002878316
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