Vitas-M small molecule compound
3-cyclohexyl-8-(3-nitrophenyl)-6-oxo-3,4,7,8-tetrahydro-2H,6H-pyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile
Catalog ID
STK826923
SMILES N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)[N+](=O)[O-])C1CCCCC1
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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 C20H22N4O3S MW 398.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O3S/c21-11-18-17(14-5-4-8-16(9-14)24(26)27)10-19(25)23-12-22(13-28-20(18)23)15-6-2-1-3-7-15/h4-5,8-9,15,17H,1-3,6-7,10,12-13H2InChIKey
OLHDWFPPIPESSG-UHFFFAOYSA-NSynonyms
3cyclohexyl8(3nitrophenyl)6oxo2478tetrahydropyrido(21b)(135)thiadiazine9carbonitrile
3cyclohexyl8(3nitrophenyl)6oxo3478tetrahydro2H6Hpyrido(21b)(135)thiadiazine9carbonitrile
C1CCC(CC1)N2CN3C(=O)CC(C(=C3SC2)C#N)C4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC20H22N4O3Sc21111817(1454816(914)24(26)27)1019(25)231222(132820(18)23)156213715h45891517H1367101213H2
MFCD10086919
N#CC1=C2SCN(CN2C(=O)CC1c1cccc(c1)(N+)(=O)(O))C1CCCCC1
ZINC000020238094
ZINC000020238097
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