Vitas-M small molecule compound
4-methylmorpholin-4-ium 3-cyano-6-methyl-4-(3-nitrophenyl)-5-(phenylcarbamoyl)-1,4-dihydropyridine-2-thiolate
Catalog ID
STK051328
SMILES C[NH+]1CCOCC1.N#CC1=C([S-])NC(=C(C1c1cccc(c1)[N+](=O)[O-])C(=O)Nc1ccccc1)C
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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 C25H27N5O4S MW 493.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S.C5H11NO/c1-12-17(19(25)23-14-7-3-2-4-8-14)18(16(11-21)20(28)22-12)13-6-5-9-15(10-13)24(26)27;1-6-2-4-7-5-3-6/h2-10,18,22,28H,1H3,(H,23,25);2-5H2,1H3InChIKey
QMIZNZRQRRHDDC-UHFFFAOYSA-NSynonyms
303101-92-0303101920
4methylmorpholin4ium3cyano6methyl4(3nitrophenyl)5(phenylcarbamoyl)14dihydropyridine2thiolate
C(NH+)1CCOCC1N#CC1=C((S))NC(=C(C1c1cccc(c1)(N+)(=O)(O))C(=O)Nc1ccccc1)C
MFCD01557571
STK051328
ZINC000013739382
ZINC000013739383
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