Vitas-M small molecule compound

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

Catalog ID
STL169822
SMILES CCCCCSc1nnc2c(n1)OC(Nc1c2cccc1)c1ccc(cc1)SC

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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 C22H24N4OS2 MW 424.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4OS2/c1-3-4-7-14-29-22-24-21-19(25-26-22)17-8-5-6-9-18(17)23-20(27-21)15-10-12-16(28-2)13-11-15/h5-6,8-13,20,23H,3-4,7,14H2,1-2H3
InChIKey
FXJBNIXHHNZXGU-UHFFFAOYSA-N
Synonyms

6(4(methylsulfanyl)phenyl)3(pentylsulfanyl)67dihydro(124)triazino(56d)(31)benzoxazepine
6(4METHYLSULFANYLPHENYL)3PENTYLSULFANYL67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPINE
CCCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(C=C4)SC)N=N1
InChI=1SC22H24N4OS2c1347142922242119(252622)17856918(17)2320(2721)15101216(282)131115h568132023H34714H212H3
MFCD01647971
ZINC000002084680
ZINC000002084681

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Available files

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