Vitas-M small molecule compound
3-(4-bromophenyl)-8-(3-ethoxy-4-hydroxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887049
SMILES CCOc1cc(ccc1O)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccc(cc1)Br
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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/c1-2-29-20-9-14(3-8-19(20)27)17-10-21(28)26-12-25(13-30-22(26)18(17)11-24)16-6-4-15(23)5-7-16/h3-9,17,27H,2,10,12-13H2,1H3InChIKey
XIQAEAAASKZZLT-UHFFFAOYSA-NSynonyms
3(4bromophenyl)8(3ethoxy4hydroxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(4bromophenyl)8(3ethoxy4hydroxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CCOC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=C(C=C4)Br)O
InChI=1SC22H20BrN3O3Sc122920914(3819(20)27)171021(28)261225(133022(26)18(17)1124)166415(23)5716h391727H2101213H21H3
MFCD10087786
ZINC000009693250
ZINC000009693251
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