Vitas-M small molecule compound
8-(5-bromo-2-methoxyphenyl)-3-(3-chloro-2-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK827491
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)ccc1OC)c1cccc(c1C)Cl
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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 C22H19BrClN3O2S MW 504.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19BrClN3O2S/c1-13-18(24)4-3-5-19(13)26-11-27-21(28)9-15(17(10-25)22(27)30-12-26)16-8-14(23)6-7-20(16)29-2/h3-8,15H,9,11-12H2,1-2H3InChIKey
CPNJGXYYWJNFNR-UHFFFAOYSA-NSynonyms
8(5bromo2methoxyphenyl)3(3chloro2methylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(5bromo2methoxyphenyl)3(3chloro2methylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=CC=C1Cl)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=C(C=CC(=C4)Br)OC
InChI=1SC22H19BrClN3O2Sc11318(24)43519(13)26112721(28)915(17(1025)22(27)301226)16814(23)6720(16)292h3815H91112H212H3
MFCD10087947
ZINC000009693453
ZINC000009693454
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