Vitas-M small molecule compound

8-(3-bromophenyl)-3-(2,4-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile

Catalog ID
STK850137
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)Br)c1ccc(cc1OC)OC

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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 C22H20BrN3O3S MW 486.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20BrN3O3S/c1-28-16-6-7-19(20(9-16)29-2)25-12-26-21(27)10-17(14-4-3-5-15(23)8-14)18(11-24)22(26)30-13-25/h3-9,17H,10,12-13H2,1-2H3
InChIKey
MBUYQZVFSPEXDI-UHFFFAOYSA-N
Synonyms
896093-49-5
8(3bromophenyl)3(24dimethoxyphenyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromophenyl)3(24dimethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(3bromophenyl)3(24dimethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
896093495
COC1=CC(=C(C=C1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=CC=C4)Br)OC
InChI=1SC22H20BrN3O3Sc128166719(20(916)292)25122621(27)1017(1443515(23)814)18(1124)22(26)301325h3917H101213H212H3
MFCD06608110
ZINC000002338839
ZINC000002338842

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Available files

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