Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-(quinolin-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK847900
SMILES S=c1[nH]nc(n1c1ccc2c(c1)OCO2)c1ccc2c(n1)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 C18H12N4O2S MW 348.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H12N4O2S/c25-18-21-20-17(14-7-5-11-3-1-2-4-13(11)19-14)22(18)12-6-8-15-16(9-12)24-10-23-15/h1-9H,10H2,(H,21,25)InChIKey
GPVXFBBLIMUJAK-UHFFFAOYSA-NSynonyms
704873-81-44(13BENZODIOXOL5YL)3QUINOLIN2YL1H124TRIAZOLE5THIONE
4(13benzodioxol5yl)5(quinolin2yl)24dihydro3H124triazole3thione
704873814
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NC5=CC=CC=C5C=C4
InChI=1SC18H12N4O2Sc2518212017(147511312413(11)1914)22(18)12681516(912)24102315h19H10H2(H2125)
MFCD07197875
S=c1(nH)nc(n1c1ccc2c(c1)OCO2)c1ccc2c(n1)cccc2
ZINC5927645
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