Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-[(6-ethoxy-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Catalog ID
STK061978
SMILES CCOc1ccc2c(c1)sc(n2)SCC(=O)N1CCc2c(C1)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 C20H20N2O2S2 MW 384.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N2O2S2/c1-2-24-16-7-8-17-18(11-16)26-20(21-17)25-13-19(23)22-10-9-14-5-3-4-6-15(14)12-22/h3-8,11H,2,9-10,12-13H2,1H3InChIKey
DETQYWANHDIIDG-UHFFFAOYSA-NSynonyms
1(34DIHYDRO1HISOQUINOLIN2YL)2((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)ETHANONE
1(34DIHYDROISOQUINOLIN2(1H)YL)2((6ETHOXY13BENZOTHIAZOL2YL)SULFANYL)ETHANONE
CCOC1=CC2=C(C=C1)N=C(S2)SCC(=O)N3CCC4=CC=CC=C4C3
CCOc1ccc2c(c1)sc(n2)SCC(=O)N1CCc2c(C1)cccc2
InChI=1SC20H20N2O2S2c122416781718(1116)2620(2117)251319(23)2210914534615(14)1222h3811H29101213H21H3
MFCD02732131
STK061978
ZINC000000869127
ZINC00869127
ZINC869127
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