Vitas-M small molecule compound
ethyl {[3-cyano-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK852687
SMILES CCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)[N+](=O)[O-]
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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 C16H15N3O5S MW 361.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15N3O5S/c1-2-24-15(21)9-25-16-13(8-17)12(7-14(20)18-16)10-4-3-5-11(6-10)19(22)23/h3-6,12H,2,7,9H2,1H3,(H,18,20)InChIKey
NEBXCODPOVARQO-UHFFFAOYSA-NSynonyms
309268-12-0309268120
CCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)(N+)(=O)(O)
CCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)(N+)(=O)(O))C#N
ethyl((3cyano6hydroxy4(3nitrophenyl)45dihydropyridin2yl)sulfanyl)acetate
InChI=1SC16H15N3O5Sc122415(21)9251613(817)12(714(20)1816)1043511(610)19(22)23h3612H279H21H3(H1820)
MFCD07201713
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