Vitas-M small molecule compound
4-{[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]amino}-5-(3,4,5-trimethoxyphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STK580843
SMILES COc1cc(cc(c1OC)OC)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 C18H18N4O4S MW 386.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18N4O4S/c1-23-14-10-12(11-15(24-2)16(14)25-3)17-20-21-18(27)22(17)19-8-4-6-13-7-5-9-26-13/h4-11H,1-3H3,(H,21,27)/b6-4+,19-8+InChIKey
KUQCTFUMFJUOMT-LKIKGXGASA-NSynonyms
497941-93-24(((1E2E)3(furan2yl)prop2en1ylidene)amino)5(345trimethoxyphenyl)24dihydro3H124triazole3thione
4((1E3E)4(2FURYL)1AZABUTA13DIENYL)5(345TRIMETHOXYPHENYL)124TRIAZOLE3THIOL
4((E)((E)3(FURAN2YL)PROP2ENYLIDENE)AMINO)3(345TRIMETHOXYPHENYL)1H124TRIAZOLE5THIONE
497941932
COC1=CC(=CC(=C1OC)OC)C2=NNC(=S)N2N=CC=CC3=CC=CO3
COc1cc(cc(c1OC)OC)c1n(nH)c(=S)n1N=CC=Cc1ccco1
InChI=1SC18H18N4O4Sc123141012(1115(242)16(14)253)17202118(27)22(17)19846137592613h411H13H3(H2127)b64+198+
MFCD07201023
ZINC000005795157
ZINC38161542
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