Vitas-M small molecule compound
3-(4-ethylphenyl)-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
STK887165
SMILES CCc1ccc(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 C23H23N3OS2 MW 421.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3OS2/c1-3-16-4-8-18(9-5-16)25-14-26-22(27)12-20(21(13-24)23(26)29-15-25)17-6-10-19(28-2)11-7-17/h4-11,20H,3,12,14-15H2,1-2H3InChIKey
PSWBJUFJDGECNB-UHFFFAOYSA-NSynonyms
3(4ethylphenyl)8(4(methylsulfanyl)phenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
3(4ethylphenyl)8(4methylsulfanylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
CCC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)SC
InChI=1SC23H23N3OS2c13164818(9516)25142622(27)1220(21(1324)23(26)291525)1761019(282)11717h41120H3121415H212H3
MFCD10087977
ZINC000004923246
ZINC000004923251
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