Vitas-M small molecule compound

1-[10-bromo-6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK509344
SMILES CSc1nnc2c(n1)OC(N(c1c2cc(Br)cc1)C(=O)C)c1c(C)nn(c1Cl)c1ccccc1

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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 C23H18BrClN6O2S MW 557.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrClN6O2S/c1-12-18(20(25)31(29-12)15-7-5-4-6-8-15)22-30(13(2)32)17-10-9-14(24)11-16(17)19-21(33-22)26-23(34-3)28-27-19/h4-11,22H,1-3H3
InChIKey
WCZXAMFYUCOYSW-UHFFFAOYSA-N
Synonyms

1(10bromo6(5chloro3methyl1phenyl1Hpyrazol4yl)3(methylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(10bromo6(5chloro3methyl1phenylpyrazol4yl)3methylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC1=NN(C(=C1C2N(C3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SC)C(=O)C)Cl)C5=CC=CC=C5
InChI=1SC23H18BrClN6O2Sc11218(20(25)31(2912)157546815)2230(13(2)32)1710914(24)1116(17)1921(3322)2623(343)282719h41122H13H3
MFCD04230954
ZINC000101010846
ZINC000101010848

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Available files

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