Vitas-M small molecule compound

5-[3-(furan-2-yl)-1H-pyrazol-5-yl]-4-(2-methoxyphenyl)-4H-1,2,4-triazole-3-thiol

Catalog ID
STK551471
SMILES COc1ccccc1n1c(S)nnc1c1[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 C16H13N5O2S MW 339.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N5O2S/c1-22-14-6-3-2-5-12(14)21-15(19-20-16(21)24)11-9-10(17-18-11)13-7-4-8-23-13/h2-9H,1H3,(H,17,18)(H,20,24)
InChIKey
NXTMOTYZHUYKLO-UHFFFAOYSA-N
Synonyms
955858-40-9
3(5(2FURANYL)1HPYRAZOL3YL)4(2METHOXYPHENYL)1H124TRIAZOLE5THIONE
3(5(2FURYL)1HPYRAZOL3YL)4(2METHOXYPHENYL)1H124TRIAZOLE5THIONE
3(5(FURAN2YL)1HPYRAZOL3YL)4(2METHOXYPHENYL)1H124TRIAZOLE5THIONE
5(3(furan2yl)1Hpyrazol5yl)4(2methoxyphenyl)4H124triazole3thiol
5(5FURAN2YL2HPYRAZOL3YL)4(2METHOXYPHENYL)4H(124)TRIAZOLE3THIOL
955858409
COC1=CC=CC=C1N2C(=NNC2=S)C3=NNC(=C3)C4=CC=CO4
COc1ccccc1n1c(S)nnc1c1(nH)nc(c1)c1ccco1
InChI=1SC16H13N5O2Sc12214632512(14)2115(192016(21)24)11910(171811)137482313h29H1H3(H1718)(H2024)
MFCD03672957
ZINC000009110028
ZINC00553198
ZINC9110028

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Available files

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