Vitas-M small molecule compound
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methyl-3,5-dinitrobenzamide
Catalog ID
STK331276
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cc([N+](=O)[O-])c(c(c1)[N+](=O)[O-])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 C19H18N4O5S MW 414.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18N4O5S/c1-3-11-4-5-13-14(9-20)19(29-17(13)6-11)21-18(24)12-7-15(22(25)26)10(2)16(8-12)23(27)28/h7-8,11H,3-6H2,1-2H3,(H,21,24)InChIKey
SVDXRMYVLYUDRP-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C(=C3)(N+)(=O)(O))C)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1cc((N+)(=O)(O))c(c(c1)(N+)(=O)(O))C
InChI=1SC19H18N4O5Sc1311451314(920)19(2917(13)611)2118(24)12715(22(25)26)10(2)16(812)23(27)28h7811H36H212H3(H2124)
MFCD01339620
N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)4methyl35dinitrobenzamide
ZINC000002092865
ZINC000002092867
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