Vitas-M small molecule compound

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

Catalog ID
STK887133
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)CC)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 C22H20FN3OS MW 393.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3OS/c1-2-15-3-5-16(6-4-15)19-11-21(27)26-13-25(14-28-22(26)20(19)12-24)18-9-7-17(23)8-10-18/h3-10,19H,2,11,13-14H2,1H3
InChIKey
NUXFGJCNBGJLJL-UHFFFAOYSA-N
Synonyms

8(4ethylphenyl)3(4fluorophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4ethylphenyl)3(4fluorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)F
InChI=1SC22H20FN3OSc12153516(6415)191121(27)261325(142822(26)20(19)1224)189717(23)81018h31019H2111314H21H3
MFCD10087930
ZINC000004922831
ZINC000004922833

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.