Vitas-M small molecule compound
2-[(4-cyano-1-methyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(3-ethoxyphenyl)acetamide
Catalog ID
STK166547
SMILES CCOc1cccc(c1)NC(=O)CSc1nc(C)c2c(c1C#N)CCCC2
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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 C21H23N3O2S MW 381.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O2S/c1-3-26-16-8-6-7-15(11-16)24-20(25)13-27-21-19(12-22)18-10-5-4-9-17(18)14(2)23-21/h6-8,11H,3-5,9-10,13H2,1-2H3,(H,24,25)InChIKey
LPEJECVDLDVRQG-UHFFFAOYSA-NSynonyms
607696-72-02((4cyano1methyl5678tetrahydroisoquinolin3yl)sulfanyl)N(3ethoxyphenyl)acetamide
2((4cyano1methyl5678tetrahydroisoquinolin3yl)thio)N(3ethoxyphenyl)acetamide
607696720
CCOC1=CC=CC(=C1)NC(=O)CSC2=NC(=C3CCCCC3=C2C#N)C
InChI=1SC21H23N3O2Sc13261686715(1116)2420(25)13272119(1222)181054917(18)14(2)2321h6811H3591013H212H3(H2425)
MFCD03692739
ZINC000001471611
ZINC01471611
ZINC1471611
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