Vitas-M small molecule compound
1-[6-(2-bromo-5-ethoxyphenyl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521657
SMILES C=CCSc1nnc2c(n1)OC(c1cc(OCC)ccc1Br)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 C23H21BrN4O3S MW 513.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21BrN4O3S/c1-4-12-32-23-25-21-20(26-27-23)16-8-6-7-9-19(16)28(14(3)29)22(31-21)17-13-15(30-5-2)10-11-18(17)24/h4,6-11,13,22H,1,5,12H2,2-3H3InChIKey
ZQBSYGKOQYLWRG-UHFFFAOYSA-NSynonyms
1(6(2bromo5ethoxyphenyl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(2BROMO5ETHOXYPHENYL)3PROP2ENYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL3(ALLYLSULFANYL)6(2BROMO5ETHOXYPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=CC(=C(C=C1)Br)C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C
InChI=1SC23H21BrN4O3Sc14123223252120(262723)16867919(16)28(14(3)29)22(3121)171315(3052)101118(17)24h46111322H1512H223H3
MFCD03080524
ZINC000002114029
ZINC000002114031
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