Vitas-M small molecule compound
3-(4-bromophenyl)-8-[4-(methylsulfanyl)phenyl]-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887160
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)SC)c1ccc(cc1)Br
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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 C21H18BrN3OS2 MW 472.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3OS2/c1-27-17-8-2-14(3-9-17)18-10-20(26)25-12-24(13-28-21(25)19(18)11-23)16-6-4-15(22)5-7-16/h2-9,18H,10,12-13H2,1H3InChIKey
KOQVEDONWVUPFX-UHFFFAOYSA-NSynonyms
3(4bromophenyl)8(4(methylsulfanyl)phenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(4bromophenyl)8(4methylsulfanylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CSC1=CC=C(C=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)Br
InChI=1SC21H18BrN3OS2c127178214(3917)181020(26)251224(132821(25)19(18)1123)166415(22)5716h2918H101213H21H3
MFCD10087970
ZINC000009693295
ZINC000009693296
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