Vitas-M small molecule compound

1-[6-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-3-(prop-2-en-1-ylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethanone

Catalog ID
STK520933
SMILES C=CCSc1nnc2c(n1)OC(N(c1c2cccc1)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 C25H21ClN6O2S MW 505.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H21ClN6O2S/c1-4-14-35-25-27-23-21(28-29-25)18-12-8-9-13-19(18)31(16(3)33)24(34-23)20-15(2)30-32(22(20)26)17-10-6-5-7-11-17/h4-13,24H,1,14H2,2-3H3
InChIKey
FCZADYOVHFVDBN-UHFFFAOYSA-N
Synonyms

1(6(5chloro3methyl1phenyl1Hpyrazol4yl)3(prop2en1ylsulfanyl)(124)triazino(56d)(31)benzoxazepin7(6H)yl)ethanone
1(6(5chloro3methyl1phenylpyrazol4yl)3prop2enylsulfanyl6H(124)triazino(56d)(31)benzoxazepin7yl)ethanone
CC1=NN(C(=C1C2N(C3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C(=O)C)Cl)C5=CC=CC=C5
InChI=1SC25H21ClN6O2Sc14143525272321(282925)1812891319(18)31(16(3)33)24(3423)2015(2)3032(22(20)26)17106571117h41324H114H223H3
MFCD04230542
ZINC000009731134
ZINC000015015792

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Available files

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