Vitas-M small molecule compound
8-(5-bromo-2-methoxyphenyl)-3-(4-methylphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887173
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)ccc1OC)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 C22H20BrN3O2S MW 470.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O2S/c1-14-3-6-16(7-4-14)25-12-26-21(27)10-17(19(11-24)22(26)29-13-25)18-9-15(23)5-8-20(18)28-2/h3-9,17H,10,12-13H2,1-2H3InChIKey
UXVNURGKXSBMLE-UHFFFAOYSA-NSynonyms
8(5bromo2methoxyphenyl)3(4methylphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(5bromo2methoxyphenyl)3(4methylphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=CC=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=C(C=CC(=C4)Br)OC
InChI=1SC22H20BrN3O2Sc1143616(7414)25122621(27)1017(19(1124)22(26)291325)18915(23)5820(18)282h3917H101213H212H3
MFCD10087995
ZINC000009693473
ZINC000009693474
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