Vitas-M small molecule compound
butyl {[3-cyano-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
Catalog ID
STK826357
SMILES CCCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)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((3cyano4(3nitrophenyl)6oxo1456tetrahydropyridin2yl)sulfanyl)acetate
butyl2((3cyano4(3nitrophenyl)6oxo1456tetrahydropyridin2yl)thio)acetate
BUTYL2((5CYANO4(3NITROPHENYL)2OXO34DIHYDRO1HPYRIDIN6YL)SULFANYL)ACETATE
CCCCOC(=O)CSC1=C(C#N)C(CC(=O)N1)c1cccc(c1)(N+)(=O)(O)
CCCCOC(=O)CSC1=C(C(CC(=O)N1)C2=CC(=CC=C2)(N+)(=O)(O))C#N
InChI=1SC18H19N3O5Sc12372617(23)11271815(1019)14(916(22)2018)1254613(812)21(24)25h46814H237911H21H3(H2022)
MFCD02232577
ZINC000002296821
ZINC000002296822
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