Vitas-M small molecule compound
3-(3-chloro-4-methylphenyl)-8-(4-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827454
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1ccc(cc1)F)c1ccc(c(c1)Cl)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 C21H17ClFN3OS MW 413.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClFN3OS/c1-13-2-7-16(8-19(13)22)25-11-26-20(27)9-17(14-3-5-15(23)6-4-14)18(10-24)21(26)28-12-25/h2-8,17H,9,11-12H2,1H3InChIKey
CYTBKZVJJXQDRQ-UHFFFAOYSA-NSynonyms
3(3chloro4methylphenyl)8(4fluorophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3chloro4methylphenyl)8(4fluorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC=C(C=C4)F)Cl
InChI=1SC21H17ClFN3OSc1132716(819(13)22)25112620(27)917(143515(23)6414)18(1024)21(26)281225h2817H91112H21H3
MFCD10087860
ZINC000004922685
ZINC000004922688
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