Vitas-M small molecule compound

4-{[(E)-furan-2-ylmethylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STK577651
SMILES COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1/N=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 C16H16N4O4S MW 360.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O4S/c1-21-12-7-10(8-13(22-2)14(12)23-3)15-18-19-16(25)20(15)17-9-11-5-4-6-24-11/h4-9H,1-3H3,(H,19,25)/b17-9+
InChIKey
WPPGQXRWYOGHEA-RQZCQDPDSA-N
Synonyms
500272-15-1
4(((E)furan2ylmethylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E)2(2FURYL)1AZAVINYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)FURAN2YLMETHYLIDENEAMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
500272151
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC3=CC=CO3
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=Cc1ccco1
InChI=1SC16H16N4O4Sc12112710(813(222)14(12)233)15181916(25)20(15)179115462411h49H13H3(H1925)b179+
MFCD07198718
ZINC000005558426
ZINC33303905

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Available files

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