Vitas-M small molecule compound

1-[6-(5-chloro-2,3-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509412
SMILES COc1c(OC)cc(cc1C1Oc2nc(SC)nnc2c2c(N1C(=O)C)cccc2)Cl

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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 C21H19ClN4O4S MW 458.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O4S/c1-11(27)26-15-8-6-5-7-13(15)17-19(23-21(31-4)25-24-17)30-20(26)14-9-12(22)10-16(28-2)18(14)29-3/h5-10,20H,1-4H3
InChIKey
IXFZMZLSYOTQQQ-UHFFFAOYSA-N
Synonyms

1(6(5chloro23dimethoxyphenyl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5CHLORO23DIMETHOXYPHENYL)3METHYLSULFANYL6H(124)TRIAZINO(56D)(31)BENZOXAZEPIN7YL)ETHANONE
CC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC(=CC(=C4OC)OC)Cl
InChI=1SC21H19ClN4O4Sc111(27)2615865713(15)1719(2321(314)252417)3020(26)14912(22)1016(282)18(14)293h51020H14H3
MFCD02376144
ZINC000001169094
ZINC000001169095

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Available files

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