Vitas-M small molecule compound
butyl {[3-cyano-6-hydroxy-4-(4-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK561378
SMILES CCCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)[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/c1-2-3-8-26-17(23)11-27-18-15(10-19)14(9-16(22)20-18)12-4-6-13(7-5-12)21(24)25/h4-7,14H,2-3,8-9,11H2,1H3,(H,20,22)InChIKey
NQDUQBKKXDZQPU-UHFFFAOYSA-NSynonyms
361478-08-2butyl((3cyano6hydroxy4(4nitrophenyl)45dihydropyridin2yl)sulfanyl)acetate
BUTYL2((5CYANO4(4NITROPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
CCCCOC(=O)CSC1=C(C#N)C(CC(=N1)O)c1ccc(cc1)(N+)(=O)(O)
CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC=C(C=C2)(N+)(=O)(O))C#N
InChI=1SC18H19N3O5Sc12382617(23)11271815(1019)14(916(22)2018)124613(7512)21(24)25h4714H238911H21H3(H2022)
MFCD04074124
ZINC000002312570
ZINC000002312571
Check stock
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