Vitas-M small molecule compound

N'-{(E)-[4-(benzyloxy)phenyl]methylidene}-2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide

Catalog ID
STK109959
SMILES CCn1c(SCC(=O)N/N=C/c2ccc(cc2)OCc2ccccc2)nnc1c1ccc(cc1)C

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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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-3-32-26(23-13-9-20(2)10-14-23)30-31-27(32)35-19-25(33)29-28-17-21-11-15-24(16-12-21)34-18-22-7-5-4-6-8-22/h4-17H,3,18-19H2,1-2H3,(H,29,33)/b28-17+
InChIKey
KDOOXMZLWXCFKM-OGLMXYFKSA-N
Synonyms
488717-15-3
(E)N(4(benzyloxy)benzylidene)2((4ethyl5(ptolyl)4H124triazol3yl)thio)acetohydrazide
2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4PHENYLMETHOXYPHENYL)METHYLIDENEAMINO)ACETAMIDE
488717153
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)C
CCn1c(SCC(=O)NN=Cc2ccc(cc2)OCc2ccccc2)nnc1c1ccc(cc1)C
InChI=1SC27H27N5O2Sc133226(2313920(2)101423)303127(32)351925(33)29281721111524(161221)3418227546822h417H31819H212H3(H2933)b2817+
MFCD03219616
N((1E)2(4(PHENYLMETHOXY)PHENYL)1AZAVINYL)2(4ETHYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((E)(4(BENZYLOXY)PHENYL)METHYLIDENE)2((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
ZINC000002336925
ZINC33361404

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Available files

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