Vitas-M small molecule compound
8-(2,5-dimethoxyphenyl)-3-(2-fluorophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK847863
SMILES COc1ccc(c(c1)C1CC(=O)N2C(=C1C#N)SCN(C2)c1ccccc1F)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 C22H20FN3O3S MW 425.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20FN3O3S/c1-28-14-7-8-20(29-2)16(9-14)15-10-21(27)26-12-25(13-30-22(26)17(15)11-24)19-6-4-3-5-18(19)23/h3-9,15H,10,12-13H2,1-2H3InChIKey
SWYXAMMGGMRCCA-UHFFFAOYSA-NSynonyms
896068-09-08(25dimethoxyphenyl)3(2fluorophenyl)6oxo234678hexahydropyrido(21b)(135)thiadiazine9carbonitrile
8(25dimethoxyphenyl)3(2fluorophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
8(25dimethoxyphenyl)3(2fluorophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
896068090
COC1=CC(=C(C=C1)OC)C2CC(=O)N3CN(CSC3=C2C#N)C4=CC=CC=C4F
InChI=1SC22H20FN3O3Sc128147820(292)16(914)151021(27)261225(133022(26)17(15)1124)19643518(19)23h3915H101213H212H3
MFCD06591439
ZINC000002434515
ZINC000002434517
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