Vitas-M small molecule compound
1-methyl-3-{[3-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Catalog ID
STK031078
SMILES N#Cc1c(SCCCn2c(=O)[nH]c3c2cccc3)nc(c2c1CCCC2)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 C21H22N4OS MW 378.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4OS/c1-14-15-7-2-3-8-16(15)17(13-22)20(23-14)27-12-6-11-25-19-10-5-4-9-18(19)24-21(25)26/h4-5,9-10H,2-3,6-8,11-12H2,1H3,(H,24,26)InChIKey
HAAQDPWUXXAPJE-UHFFFAOYSA-NSynonyms
443895-92-91methyl3((3(2oxo23dihydro1Hbenzimidazol1yl)propyl)sulfanyl)5678tetrahydroisoquinoline4carbonitrile
1methyl3((3(2oxo23dihydro1Hbenzo(d)imidazol1yl)propyl)thio)5678tetrahydroisoquinoline4carbonitrile
1methyl3(3(2oxo3Hbenzimidazol1yl)propylsulfanyl)5678tetrahydroisoquinoline4carbonitrile
443895929
CC1=C2CCCCC2=C(C(=N1)SCCCN3C4=CC=CC=C4NC3=O)C#N
InChI=1SC21H22N4OSc11415723816(15)17(1322)20(2314)271261125191054918(19)2421(25)26h45910H23681112H21H3(H2426)
MFCD03296978
N#Cc1c(SCCCn2c(=O)(nH)c3c2cccc3)nc(c2c1CCCC2)C
STK031078
ZINC000004562444
ZINC04562444
ZINC4562444
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