Vitas-M small molecule compound
1-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-3-([1,2,4]triazolo[4,3-b]pyridazin-6-ylsulfanyl)propan-1-one
Catalog ID
STL246929
SMILES COc1cc2CN(CCc2cc1OC)C(=O)CCSc1ccc2n(n1)cnn2
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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 C19H21N5O3S MW 399.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N5O3S/c1-26-15-9-13-5-7-23(11-14(13)10-16(15)27-2)19(25)6-8-28-18-4-3-17-21-20-12-24(17)22-18/h3-4,9-10,12H,5-8,11H2,1-2H3InChIKey
VDUHKUPGQLCQRQ-UHFFFAOYSA-NSynonyms
1351686-91-31(67dimethoxy34dihydro1Hisoquinolin2yl)3((124)triazolo(43b)pyridazin6ylsulfanyl)propan1one
1(67dimethoxy34dihydroisoquinolin2(1H)yl)3((124)triazolo(43b)pyridazin6ylsulfanyl)propan1one
1351686913
3((124)triazolo(43b)pyridazin6ylthio)1(67dimethoxy34dihydroisoquinolin2(1H)yl)propan1one
COC1=C(C=C2CN(CCC2=C1)C(=O)CCSC3=NN4C=NN=C4C=C3)OC
InChI=1SC19H21N5O3Sc126159135723(1114(13)1016(15)272)19(25)682818431721201224(17)2218h3491012H5811H212H3
MFCD20537328
ZINC000072402316
ZINC72402316
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