Vitas-M small molecule compound
5-[2-(1,3-benzodioxol-5-yl)quinolin-4-yl]-4-(3-methoxypropyl)-4H-1,2,4-triazole-3-thiol
Catalog ID
STK465333
SMILES COCCCn1c(S)nnc1c1cc(nc2c1cccc2)c1ccc2c(c1)OCO2
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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 C22H20N4O3S MW 420.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O3S/c1-27-10-4-9-26-21(24-25-22(26)30)16-12-18(23-17-6-3-2-5-15(16)17)14-7-8-19-20(11-14)29-13-28-19/h2-3,5-8,11-12H,4,9-10,13H2,1H3,(H,25,30)InChIKey
FQYRTTZJKCLMLC-UHFFFAOYSA-NSynonyms
3(2(13benzodioxol5yl)quinolin4yl)4(3methoxypropyl)1H124triazole5thione
5(2(13benzodioxol5yl)quinolin4yl)4(3methoxypropyl)4H124triazole3thiol
5(2(2HBENZO(34D)13DIOXOLAN5YL)(4QUINOLYL))4(3METHOXYPROPYL)124TRIAZOLE3THIOL
COCCCN1C(=NNC1=S)C2=CC(=NC3=CC=CC=C32)C4=CC5=C(C=C4)OCO5
InChI=1SC22H20N4O3Sc12710492621(242522(26)30)161218(2317632515(16)17)14781920(1114)29132819h23581112H491013H21H3(H2530)
MFCD06758271
ZINC000017092241
ZINC17092241
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