Vitas-M small molecule compound
8-(4-bromophenyl)-3-(3,4-dimethylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827236
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)Br)c1ccc(c(c1)C)C
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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 C22H20BrN3OS MW 454.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3OS/c1-14-3-8-18(9-15(14)2)25-12-26-21(27)10-19(16-4-6-17(23)7-5-16)20(11-24)22(26)28-13-25/h3-9,19H,10,12-13H2,1-2H3InChIKey
QRLJFYGUNMXHMZ-UHFFFAOYSA-NSynonyms
8(4bromophenyl)3(34dimethylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(4bromophenyl)3(34dimethylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)Br)C
InChI=1SC22H20BrN3OSc1143818(915(14)2)25122621(27)1019(164617(23)7516)20(1124)22(26)281325h3919H101213H212H3
MFCD10087448
ZINC000009693389
ZINC000009693390
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