Vitas-M small molecule compound
3-(3-chloro-2-methylphenyl)-8-(2,5-dimethoxyphenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK887137
SMILES COc1ccc(c(c1)C1CC(=O)N2C(=C1C#N)SCN(C2)c1cccc(c1C)Cl)OC
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C23H22ClN3O3S MW 455.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22ClN3O3S/c1-14-19(24)5-4-6-20(14)26-12-27-22(28)10-16(18(11-25)23(27)31-13-26)17-9-15(29-2)7-8-21(17)30-3/h4-9,16H,10,12-13H2,1-3H3InChIKey
HENUQRRBPBTSDN-UHFFFAOYSA-NSynonyms
3(3chloro2methylphenyl)8(25dimethoxyphenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3(3chloro2methylphenyl)8(25dimethoxyphenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
CC1=C(C=CC=C1Cl)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=C(C=CC(=C4)OC)OC
InChI=1SC23H22ClN3O3Sc11419(24)54620(14)26122722(28)1016(18(1125)23(27)311326)17915(292)7821(17)303h4916H101213H213H3
MFCD10087935
ZINC000006577555
ZINC000006577556
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