Vitas-M small molecule compound
1-[6-(3-bromophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK520858
SMILES CCSc1nnc2c(n1)OC(c1cccc(c1)Br)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 C20H17BrN4O2S MW 457.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17BrN4O2S/c1-3-28-20-22-18-17(23-24-20)15-9-4-5-10-16(15)25(12(2)26)19(27-18)13-7-6-8-14(21)11-13/h4-11,19H,3H2,1-2H3InChIKey
OZGYUTNSQVZQPX-UHFFFAOYSA-NSynonyms
1(6(3bromophenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3BROMOPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC=C4)Br)C(=O)C)N=N1
InChI=1SC20H17BrN4O2Sc132820221817(232420)159451016(15)25(12(2)26)19(2718)1376814(21)1113h41119H3H212H3
MFCD02222544
ZINC000009730969
ZINC000009730971
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