Vitas-M small molecule compound
2-[(4-cyano-1-ethyl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(4-ethoxyphenyl)acetamide
Catalog ID
STK055638
SMILES CCOc1ccc(cc1)NC(=O)CSc1nc(CC)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 C22H25N3O2S MW 395.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O2S/c1-3-20-18-8-6-5-7-17(18)19(13-23)22(25-20)28-14-21(26)24-15-9-11-16(12-10-15)27-4-2/h9-12H,3-8,14H2,1-2H3,(H,24,26)InChIKey
OELRPRVBXUIVLK-UHFFFAOYSA-NSynonyms
444149-25-12((4cyano1ethyl5678tetrahydroisoquinolin3yl)sulfanyl)N(4ethoxyphenyl)acetamide
444149251
CCC1=C2CCCCC2=C(C(=N1)SCC(=O)NC3=CC=C(C=C3)OCC)C#N
CCOc1ccc(cc1)NC(=O)CSc1nc(CC)c2c(c1C#N)CCCC2
InChI=1SC22H25N3O2Sc132018865717(18)19(1323)22(2520)281421(26)241591116(121015)2742h912H3814H212H3(H2426)
MFCD03668392
STK055638
ZINC000002690411
ZINC02690411
ZINC2690411
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