Vitas-M small molecule compound

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

Catalog ID
STK101369
SMILES CCOc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)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 C27H27N5O2S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O2S/c1-3-20-10-12-21(13-11-20)18-28-29-25(33)19-35-27-31-30-26(22-8-6-5-7-9-22)32(27)23-14-16-24(17-15-23)34-4-2/h5-18H,3-4,19H2,1-2H3,(H,29,33)/b28-18+
InChIKey
UWLAGQHTCUNHFY-MTDXEUNCSA-N
Synonyms
488138-03-0
(E)2((4(4ethoxyphenyl)5phenyl4H124triazol3yl)thio)N(4ethylbenzylidene)acetohydrazide
2((4(4ETHOXYPHENYL)5PHENYL124TRIAZOL3YL)SULFANYL)N((E)(4ETHYLPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4(4ETHOXYPHENYL)5PHENYL4H124TRIAZOL3YL)SULFANYL)N((E)(4ETHYLPHENYL)METHYLIDENE)ACETOHYDRAZIDE
488138030
CCC1=CC=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OCC)C4=CC=CC=C4
CCOc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)CC)nnc1c1ccccc1
InChI=1SC27H27N5O2Sc1320101221(131120)18282925(33)193527313026(228657922)32(27)23141624(171523)3442h518H3419H212H3(H2933)b2818+
MFCD03091278
ZINC000001831187
ZINC33345223

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Available files

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