Vitas-M small molecule compound
3-(3-chlorophenyl)-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
STK852595
SMILES CCOc1cc(ccc1O)C1CC(=O)N2C(=C1C#N)SCN(C2)c1cccc(c1)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 C22H20ClN3O3S MW 441.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN3O3S/c1-2-29-20-8-14(6-7-19(20)27)17-10-21(28)26-12-25(13-30-22(26)18(17)11-24)16-5-3-4-15(23)9-16/h3-9,17,27H,2,10,12-13H2,1H3InChIKey
ZCJBDEQKEOUWBR-UHFFFAOYSA-NSynonyms
896072-12-13(3chlorophenyl)8(3ethoxy4hydroxyphenyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3chlorophenyl)8(3ethoxy4hydroxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3chlorophenyl)8(3ethoxy4hydroxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
896072121
CCOC1=C(C=CC(=C1)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC(=CC=C4)Cl)O
InChI=1SC22H20ClN3O3Sc122920814(6719(20)27)171021(28)261225(133022(26)18(17)1124)1653415(23)916h391727H2101213H21H3
MFCD06592352
ZINC000002437955
ZINC000002437957
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