Vitas-M small molecule compound
1-(3,4-dihydroisoquinolin-2(1H)-yl)-2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STK288986
SMILES COc1cc(ccc1OC)c1nnc(n1CC)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 C23H26N4O3S MW 438.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N4O3S/c1-4-27-22(17-9-10-19(29-2)20(13-17)30-3)24-25-23(27)31-15-21(28)26-12-11-16-7-5-6-8-18(16)14-26/h5-10,13H,4,11-12,14-15H2,1-3H3InChIKey
IDQLFNNFJDVHEF-UHFFFAOYSA-NSynonyms
1(34dihydro1Hisoquinolin2yl)2((5(34dimethoxyphenyl)4ethyl124triazol3yl)sulfanyl)ethanone
1(34DIHYDROISOQUINOLIN2(1H)YL)2((5(34DIMETHOXYPHENYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)ETHANONE
CCN1C(=NN=C1SCC(=O)N2CCC3=CC=CC=C3C2)C4=CC(=C(C=C4)OC)OC
InChI=1SC23H26N4O3Sc142722(1791019(292)20(1317)303)242523(27)311521(28)26121116756818(16)1426h51013H411121415H213H3
MFCD09039686
ZINC000013568943
ZINC13568943
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