Vitas-M small molecule compound
butyl {[3-cyano-6-hydroxy-4-(3-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STL148973
SMILES CCCCOC(=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 C18H19N3O5S MW 389.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O5S/c1-2-3-7-26-17(23)11-27-18-15(10-19)14(9-16(22)20-18)12-5-4-6-13(8-12)21(24)25/h4-6,8,14H,2-3,7,9,11H2,1H3,(H,20,22)InChIKey
CIPXBEYHPNYVKJ-UHFFFAOYSA-NSynonyms
butyl((3cyano6hydroxy4(3nitrophenyl)45dihydropyridin2yl)sulfanyl)acetate
CCCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1cccc(c1)(N+)(=O)(O)
MFCD04077713
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