Vitas-M small molecule compound
1-[10-bromo-6-(4-ethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK980241
SMILES CCOc1ccc(cc1)C1Oc2nc(SCC)nnc2c2c(N1C(=O)C)ccc(c2)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 C22H21BrN4O3S MW 501.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21BrN4O3S/c1-4-29-16-9-6-14(7-10-16)21-27(13(3)28)18-11-8-15(23)12-17(18)19-20(30-21)24-22(26-25-19)31-5-2/h6-12,21H,4-5H2,1-3H3InChIKey
HNIOLHQATHWFRA-UHFFFAOYSA-NSynonyms
1(10bromo6(4ethoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10BROMO6(4ETHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL10BROMO6(4ETHOXYPHENYL)3(ETHYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCOC1=CC=C(C=C1)C2N(C3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCC)C(=O)C
InChI=1SC22H21BrN4O3Sc1429169614(71016)2127(13(3)28)1811815(23)1217(18)1920(3021)2422(262519)3152h61221H45H213H3
MFCD03784993
ZINC000000684852
ZINC000000684853
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