Vitas-M small molecule compound

2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-ethylphenyl)methylidene]acetohydrazide

Catalog ID
STK101021
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)CC)nnc1c1ccc(cc1)OC

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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 C27H27N5O3S MW 501.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3S/c1-4-19-5-7-20(8-6-19)17-28-29-25(33)18-36-27-31-30-26(21-9-13-23(34-2)14-10-21)32(27)22-11-15-24(35-3)16-12-22/h5-17H,4,18H2,1-3H3,(H,29,33)/b28-17+
InChIKey
PYQVIIFPQJQVAI-OGLMXYFKSA-N
Synonyms
406202-79-7
(E)2((45bis(4methoxyphenyl)4H124triazol3yl)thio)N(4ethylbenzylidene)acetohydrazide
2((45BIS(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4ETHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((45BIS(4METHOXYPHENYL)4H124TRIAZOL3YL)SULFANYL)N((E)(4ETHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
406202797
CCC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)CC)nnc1c1ccc(cc1)OC
InChI=1SC27H27N5O3Sc14195720(8619)17282925(33)183627313026(2191323(342)141021)32(27)22111524(353)161222h517H418H213H3(H2933)b2817+
MFCD03091331
N((1E)2(4ETHYLPHENYL)1AZAVINYL)2(45BIS(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000001842212
ZINC33345360

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Available files

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