Vitas-M small molecule compound

5-(3-ethoxyphenyl)-4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK585033
SMILES CCOc1cccc(c1)c1n[nH]c(=S)n1/N=C/C=C/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 C17H16N4O2S MW 340.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N4O2S/c1-2-22-15-7-3-6-13(12-15)16-19-20-17(24)21(16)18-10-4-8-14-9-5-11-23-14/h3-12H,2H2,1H3,(H,20,24)/b8-4+,18-10+
InChIKey
WKEWHCITQNDFLY-HGBXGJOCSA-N
Synonyms
497921-99-0
3(3ETHOXYPHENYL)4((3(FURAN2YL)ALLYLIDENE)AMINO)1H124TRIAZOLE5(4H)THIONE
3(3ETHOXYPHENYL)4((E)((E)3(FURAN2YL)PROP2ENYLIDENE)AMINO)1H124TRIAZOLE5THIONE
4((1E3E)4(2FURYL)1AZABUTA13DIENYL)5(3ETHOXYPHENYL)124TRIAZOLE3THIOL
497921990
5(3ethoxyphenyl)4(((1E2E)3(furan2yl)prop2en1ylidene)amino)24dihydro3H124triazole3thione
CCOC1=CC=CC(=C1)C2=NNC(=S)N2N=CC=CC3=CC=CO3
CCOc1cccc(c1)c1n(nH)c(=S)n1N=CC=Cc1ccco1
InChI=1SC17H16N4O2Sc12221573613(1215)16192017(24)21(16)1810481495112314h312H2H21H3(H2024)b84+1810+
MFCD07199864
ZINC000005900752
ZINC38159693

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Available files

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