Vitas-M small molecule compound
3-(4-methoxyphenyl)-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
STK853006
SMILES COc1ccc(cc1)N1CSC2=C(C#N)C(CC(=O)N2C1)c1ccc(cc1)SC
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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 C22H21N3O2S2 MW 423.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O2S2/c1-27-17-7-5-16(6-8-17)24-13-25-21(26)11-19(20(12-23)22(25)29-14-24)15-3-9-18(28-2)10-4-15/h3-10,19H,11,13-14H2,1-2H3InChIKey
HYTUDNHRGOEBPX-UHFFFAOYSA-NSynonyms
876888-14-13(4methoxyphenyl)8(4(methylsulfanyl)phenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(4methoxyphenyl)8(4(methylthio)phenyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4methoxyphenyl)8(4methylsulfanylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
876888141
COC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)SC
InChI=1SC22H21N3O2S2c127177516(6817)24132521(26)1119(20(1223)22(25)291424)153918(282)10415h31019H111314H212H3
MFCD06595105
ZINC000002197986
ZINC000002197988
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