Vitas-M small molecule compound
1-[6-(5-bromo-2,3-dimethoxyphenyl)-3-(hexylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone
Catalog ID
STK509254
SMILES CCCCCCSc1nnc2c(n1)OC(N(c1c2cccc1)C(=O)C)c1cc(Br)cc(c1OC)OC
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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 C26H29BrN4O4S MW 573.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H29BrN4O4S/c1-5-6-7-10-13-36-26-28-24-22(29-30-26)18-11-8-9-12-20(18)31(16(2)32)25(35-24)19-14-17(27)15-21(33-3)23(19)34-4/h8-9,11-12,14-15,25H,5-7,10,13H2,1-4H3InChIKey
UFLXRWIEOOSESJ-UHFFFAOYSA-NSynonyms
1(6(5bromo23dimethoxyphenyl)3(hexylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5BROMO23DIMETHOXYPHENYL)3HEXYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(5BROMO23DIMETHOXYPHENYL)3(HEXYLSULFANYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC(=C4OC)OC)Br)C(=O)C)N=N1
InChI=1SC26H29BrN4O4Sc156710133626282422(293026)1811891220(18)31(16(2)32)25(3524)191417(27)1521(333)23(19)344h891112141525H571013H214H3
MFCD03080369
ZINC000002104628
ZINC000002104630
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