Vitas-M small molecule compound
2-(1H-benzimidazol-2-ylsulfanyl)-1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)ethanone
Catalog ID
STK593232
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2c([nH]1)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 C20H21N3O3S MW 383.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N3O3S/c1-25-17-9-13-7-8-23(11-14(13)10-18(17)26-2)19(24)12-27-20-21-15-5-3-4-6-16(15)22-20/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,22)InChIKey
IFRISEGJPGGUJD-UHFFFAOYSA-NSynonyms
903206-81-52((1Hbenzo(d)imidazol2yl)thio)1(67dimethoxy34dihydroisoquinolin2(1H)yl)ethanone
2(1HBENZIMIDAZOL2YLSULFANYL)1(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)ETHANONE
2(1Hbenzimidazol2ylsulfanyl)1(67dimethoxy34dihydroisoquinolin2(1H)yl)ethanone
903206815
COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NC4=CC=CC=C4N3)OC
COc1cc2CN(CCc2cc1OC)C(=O)CSc1nc2c((nH)1)cccc2
InChI=1SC20H21N3O3Sc125179137823(1114(13)1018(17)262)19(24)1227202115534616(15)2220h36910H781112H212H3(H2122)
MFCD06793804
ZINC000005209231
ZINC05209231
ZINC5209231
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