Vitas-M small molecule compound

6-(3,5-dibromo-2-ethoxyphenyl)-3-(pentylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Catalog ID
STL169832
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1cc(Br)cc(c1OCC)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 C23H24Br2N4O2S MW 580.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24Br2N4O2S/c1-3-5-8-11-32-23-27-22-19(28-29-23)15-9-6-7-10-18(15)26-21(31-22)16-12-14(24)13-17(25)20(16)30-4-2/h6-7,9-10,12-13,21,26H,3-5,8,11H2,1-2H3
InChIKey
WCFNHNNCCHYMAH-UHFFFAOYSA-N
Synonyms
352694-39-4
352694394
6(35dibromo2ethoxyphenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(35DIBROMO2ETHOXYPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC(=C4OCC)Br)Br)N=N1
InChI=1SC23H24Br2N4O2Sc1358113223272219(282923)159671018(15)2621(3122)161214(24)1317(25)20(16)3042h6791012132126H35811H212H3
MFCD01647960
ZINC000002084651
ZINC000002084652

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Available files

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