Vitas-M small molecule compound
3-[(1H-benzimidazol-2-ylmethyl)sulfanyl]-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Catalog ID
STL419461
SMILES CCc1nc(SCc2nc3c([nH]2)cccc3)c(c2c1CCCC2)C#N
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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 C20H20N4S MW 348.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4S/c1-2-16-14-8-4-3-7-13(14)15(11-21)20(24-16)25-12-19-22-17-9-5-6-10-18(17)23-19/h5-6,9-10H,2-4,7-8,12H2,1H3,(H,22,23)InChIKey
XJXDUFIQCDIXIN-UHFFFAOYSA-NSynonyms
3((1Hbenzimidazol2ylmethyl)sulfanyl)1ethyl5678tetrahydroisoquinoline4carbonitrile
3(1Hbenzimidazol2ylmethylsulfanyl)1ethyl5678tetrahydroisoquinoline4carbonitrile
CCC1=C2CCCCC2=C(C(=N1)SCC3=NC4=CC=CC=C4N3)C#N
CCc1nc(SCc2nc3c((nH)2)cccc3)c(c2c1CCCC2)C#N
InChI=1SC20H20N4Sc121614843713(14)15(1121)20(2416)25121922179561018(17)2319h56910H247812H21H3(H2223)
MFCD01238602
ZINC000005386443
ZINC5386443
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