Vitas-M small molecule compound

8-(5-bromo-2-methoxyphenyl)-3-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Catalog ID
STK848953
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)ccc1OC)c1ccc(cc1)F

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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 C21H17BrFN3O2S MW 474.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17BrFN3O2S/c1-28-19-7-2-13(22)8-17(19)16-9-20(27)26-11-25(12-29-21(26)18(16)10-24)15-5-3-14(23)4-6-15/h2-8,16H,9,11-12H2,1H3
InChIKey
MOQGZHOHXXAUMR-UHFFFAOYSA-N
Synonyms
896089-81-9
8(5bromo2methoxyphenyl)3(4fluorophenyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
8(5bromo2methoxyphenyl)3(4fluorophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(5bromo2methoxyphenyl)3(4fluorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
896089819
COC1=C(C=C(C=C1)Br)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)F
InChI=1SC21H17BrFN3O2Sc128197213(22)817(19)16920(27)261125(122921(26)18(16)1024)155314(23)4615h2816H91112H21H3
MFCD06597955
ZINC000002212657
ZINC000002212659

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Available files

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