Vitas-M small molecule compound

3-(4-methylphenyl)-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
STK827528
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)SC)c1ccc(cc1)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 C22H21N3OS2 MW 407.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3OS2/c1-15-3-7-17(8-4-15)24-13-25-21(26)11-19(20(12-23)22(25)28-14-24)16-5-9-18(27-2)10-6-16/h3-10,19H,11,13-14H2,1-2H3
InChIKey
XCLKDGCOEORFFU-UHFFFAOYSA-N
Synonyms

3(4methylphenyl)8(4(methylsulfanyl)phenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(4methylphenyl)8(4methylsulfanylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)SC
InChI=1SC22H21N3OS2c1153717(8415)24132521(26)1119(20(1223)22(25)281424)165918(272)10616h31019H111314H212H3
MFCD10088018
ZINC000004923277
ZINC000004923283

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Available files

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