Vitas-M small molecule compound

N'-[(1E,2E)-3-(furan-2-yl)prop-2-en-1-ylidene]-2-{[4-(4-methoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STL337434
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/C=C/c2ccco2)nnc1c1ccccc1

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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 C24H21N5O3S MW 459.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H21N5O3S/c1-31-20-13-11-19(12-14-20)29-23(18-7-3-2-4-8-18)27-28-24(29)33-17-22(30)26-25-15-5-9-21-10-6-16-32-21/h2-16H,17H2,1H3,(H,26,30)/b9-5+,25-15+
InChIKey
YVWFALYVEPSYHU-IHGQSFPHSA-N
Synonyms
612827-53-9
(E)N((E)3(furan2yl)allylidene)2((4(4methoxyphenyl)5phenyl4H124triazol3yl)thio)acetohydrazide
612827539
COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NN=CC=CC3=CC=CO3)C4=CC=CC=C4
COc1ccc(cc1)n1c(SCC(=O)NN=CC=Cc2ccco2)nnc1c1ccccc1
InChI=1SC24H21N5O3Sc13120131119(121420)2923(187324818)272824(29)331722(30)2625155921106163221h216H17H21H3(H2630)b95+2515+
MFCD03222577
N((1E2E)3(furan2yl)prop2en1ylidene)2((4(4methoxyphenyl)5phenyl4H124triazol3yl)sulfanyl)acetohydrazide
N((1E3E)4(2FURYL)1AZABUTA13DIENYL)2(4(4METHOXYPHENYL)5PHENYL(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)((E)3(FURAN2YL)PROP2ENYLIDENE)AMINO)2((4(4METHOXYPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000002214204
ZINC38168643

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.