Vitas-M small molecule compound

N'-{(E)-[4-(diethylamino)-2-hydroxyphenyl]methylidene}-2-{[4-(4-ethoxyphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STK103715
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2O)N(CC)CC)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 C29H32N6O3S MW 544.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H32N6O3S/c1-4-34(5-2)24-13-12-22(26(36)18-24)19-30-31-27(37)20-39-29-33-32-28(21-10-8-7-9-11-21)35(29)23-14-16-25(17-15-23)38-6-3/h7-19,36H,4-6,20H2,1-3H3,(H,31,37)/b30-19+
InChIKey
HYVOTSMPVWTBRV-NDZAJKAJSA-N
Synonyms
488093-01-2
(E)N(4(diethylamino)2hydroxybenzylidene)2((4(4ethoxyphenyl)5phenyl4H124triazol3yl)thio)acetohydrazide
488093012
5(DIETHYLAMMONIO)2((E)(2(((4(4ETHOXYPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)PHENOLATE
5(diethylazaniumyl)2((E)((2((4(4ethoxyphenyl)5phenyl124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)phenolate
CC(NH+)(CC)C1=CC(=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)C4=CC=CC=C4)(O)
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2O)N(CC)CC)nnc1c1ccccc1
InChI=1SC29H32N6O3Sc1434(52)24131222(26(36)1824)19303127(37)203929333228(21108791121)35(29)23141625(171523)3863h71936H4620H213H3(H3137)b3019+
N((E)(4(diethylamino)2hydroxyphenyl)methylidene)2((4(4ethoxyphenyl)5phenyl4H124triazol3yl)sulfanyl)acetohydrazide

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Available files

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