Vitas-M small molecule compound
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-[(4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanone
Catalog ID
STK573484
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CSc1nncn1c1ccccc1
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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c1-27-18-10-15-8-9-24(12-16(15)11-19(18)28-2)20(26)13-29-21-23-22-14-25(21)17-6-4-3-5-7-17/h3-7,10-11,14H,8-9,12-13H2,1-2H3InChIKey
ISAFJRSLHFEPKR-UHFFFAOYSA-NSynonyms
883961-86-21(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2((4PHENYL124TRIAZOL3YL)SULFANYL)ETHANONE
1(67dimethoxy34dihydroisoquinolin2(1H)yl)2((4phenyl4H124triazol3yl)sulfanyl)ethanone
1(67dimethoxy34dihydroisoquinolin2(1H)yl)2((4phenyl4H124triazol3yl)thio)ethanone
883961862
COC1=C(C=C2CN(CCC2=C1)C(=O)CSC3=NN=CN3C4=CC=CC=C4)OC
InChI=1SC21H22N4O3Sc1271810158924(1216(15)1119(18)282)20(26)13292123221425(21)176435717h37101114H891213H212H3
MFCD06789275
ZINC000005167920
ZINC05167920
ZINC5167920
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