Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK625889
SMILES S=c1[nH]nc(n1c1ccc2c(c1)OCO2)c1[nH]nc(c1)c1ccco1
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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 C16H11N5O3S MW 353.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11N5O3S/c25-16-20-19-15(11-7-10(17-18-11)12-2-1-5-22-12)21(16)9-3-4-13-14(6-9)24-8-23-13/h1-7H,8H2,(H,17,18)(H,20,25)InChIKey
LEYOZRMDTRWCAT-UHFFFAOYSA-NSynonyms
1025364-31-11025364311
4(13BENZODIOXOL5YL)3(5(FURAN2YL)1HPYRAZOL3YL)1H124TRIAZOLE5THIONE
4(13benzodioxol5yl)5(3(furan2yl)1Hpyrazol5yl)24dihydro3H124triazole3thione
C1OC2=C(O1)C=C(C=C2)N3C(=NNC3=S)C4=NNC(=C4)C5=CC=CO5
InChI=1SC16H11N5O3Sc2516201915(11710(171811)122152212)21(16)9341314(69)2482313h17H8H2(H1718)(H2025)
MFCD09789791
S=c1(nH)nc(n1c1ccc2c(c1)OCO2)c1(nH)nc(c1)c1ccco1
ZINC000004632416
ZINC4632416
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