Vitas-M small molecule compound
1-[6-(5-bromo-2-methoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK521801
SMILES CCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Br)ccc1OC
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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/c1-4-30-21-23-19-18(24-25-21)14-7-5-6-8-16(14)26(12(2)27)20(29-19)15-11-13(22)9-10-17(15)28-3/h5-11,20H,4H2,1-3H3InChIKey
BPZKDLBIHMSQFP-UHFFFAOYSA-NSynonyms
1(6(5bromo2methoxyphenyl)3(ethylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5BROMO2METHOXYPHENYL)3ETHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=C(C=CC(=C4)Br)OC)C(=O)C)N=N1
InChI=1SC21H19BrN4O3Sc143021231918(242521)14756816(14)26(12(2)27)20(2919)151113(22)91017(15)283h51120H4H213H3
MFCD02378139
ZINC000001159944
ZINC000001159945
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