Vitas-M small molecule compound

1-[6-(3-chlorophenyl)-3-(propylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK520926
SMILES CCCSc1nnc2c(n1)OC(c1cccc(c1)Cl)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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-3-11-29-21-23-19-18(24-25-21)16-9-4-5-10-17(16)26(13(2)27)20(28-19)14-7-6-8-15(22)12-14/h4-10,12,20H,3,11H2,1-2H3
InChIKey
YGVYEXNXWAUTAY-UHFFFAOYSA-N
Synonyms

1(6(3chlorophenyl)3(propylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(3CHLOROPHENYL)3PROPYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
7ACETYL6(3CHLOROPHENYL)67DIHYDRO(124)TRIAZINO(56D)(31)BENZOXAZEPIN3YLPROPYLSULFIDE
CCCSC1=NC2=C(C3=CC=CC=C3N(C(O2)C4=CC(=CC=C4)Cl)C(=O)C)N=N1
InChI=1SC21H19ClN4O2Sc13112921231918(242521)169451017(16)26(13(2)27)20(2819)1476815(22)1214h4101220H311H212H3
MFCD02071210
ZINC000002087085
ZINC000002087086

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Available files

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