Vitas-M small molecule compound
N-[1-(1H-benzimidazol-2-yl)-3-(methylsulfanyl)propyl]-2-methyl-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Catalog ID
STL407831
SMILES CSCCC(c1nc2c([nH]1)cccc2)NC(=O)c1cn(C)c(=O)c2c1cccc2
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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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-26-13-16(14-7-3-4-8-15(14)22(26)28)21(27)25-19(11-12-29-2)20-23-17-9-5-6-10-18(17)24-20/h3-10,13,19H,11-12H2,1-2H3,(H,23,24)(H,25,27)InChIKey
IXAVIDILZTYIQI-UHFFFAOYSA-NSynonyms
(S)N(1(1Hbenzo(d)imidazol2yl)3(methylthio)propyl)2methyl1oxo12dihydroisoquinoline4carboxamide
CN1C=C(C2=CC=CC=C2C1=O)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3
CSCC(C@@H)(c1nc2c((nH)1)cccc2)NC(=O)c1cn(C)c(=O)c2c1cccc2
CSCCC(c1nc2c((nH)1)cccc2)NC(=O)c1cn(C)c(=O)c2c1cccc2
InChI=1SC22H22N4O2Sc1261316(14734815(14)22(26)28)21(27)2519(1112292)2023179561018(17)2420h3101319H1112H212H3(H2324)(H2527)
MFCD30704926
N(1(1Hbenzimidazol2yl)3(methylsulfanyl)propyl)2methyl1oxo12dihydroisoquinoline4carboxamide
N(1(1Hbenzimidazol2yl)3methylsulfanylpropyl)2methyl1oxoisoquinoline4carboxamide
ZINC000096231980
ZINC000223215680
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