Vitas-M small molecule compound
N-(3-cyano-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-methoxy-3-nitrobenzamide
Catalog ID
STK463331
SMILES CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1ccc(c(c1)[N+](=O)[O-])OC
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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 C19H19N3O4S MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19N3O4S/c1-3-11-4-6-13-14(10-20)19(27-17(13)8-11)21-18(23)12-5-7-16(26-2)15(9-12)22(24)25/h5,7,9,11H,3-4,6,8H2,1-2H3,(H,21,23)InChIKey
RDKLUXSLRSOVCZ-UHFFFAOYSA-NSynonyms
CCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=CC(=C(C=C3)OC)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C#N)NC(=O)c1ccc(c(c1)(N+)(=O)(O))OC
InChI=1SC19H19N3O4Sc1311461314(1020)19(2717(13)811)2118(23)125716(262)15(912)22(24)25h57911H3468H212H3(H2123)
MFCD06005127
N(3cyano6ethyl4567tetrahydro1benzothiophen2yl)4methoxy3nitrobenzamide
ZINC000001056015
ZINC000001056017
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Check stock on Vitas-MAvailable files
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