Vitas-M small molecule compound
3-benzyl-8-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK826935
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cc(Br)c(c(c1)OC)O)Cc1ccccc1
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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/c1-29-19-8-15(7-18(23)21(19)28)16-9-20(27)26-12-25(11-14-5-3-2-4-6-14)13-30-22(26)17(16)10-24/h2-8,16,28H,9,11-13H2,1H3InChIKey
GUYRYEZNVVXZMK-UHFFFAOYSA-NSynonyms
3benzyl8(3bromo4hydroxy5methoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3benzyl8(3bromo4hydroxy5methoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
COC1=C(C(=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)CC4=CC=CC=C4)Br)O
InChI=1SC22H20BrN3O3Sc12919815(718(23)21(19)28)16920(27)261225(11145324614)133022(26)17(16)1024h281628H91113H21H3
MFCD06593950
ZINC000020238354
ZINC000020238357
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