Vitas-M small molecule compound

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

Catalog ID
STL362579
SMILES COc1ccc(cc1)c1nnc(n1CC)SCC(=O)N/N=C/c1ccc(cc1)[N+](=O)[O-]

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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 C20H20N6O4S MW 440.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O4S/c1-3-25-19(15-6-10-17(30-2)11-7-15)23-24-20(25)31-13-18(27)22-21-12-14-4-8-16(9-5-14)26(28)29/h4-12H,3,13H2,1-2H3,(H,22,27)/b21-12+
InChIKey
HDZIACYQPVAWFQ-CIAFOILYSA-N
Synonyms
303102-83-2
(E)2((4ethyl5(4methoxyphenyl)4H124triazol3yl)thio)N(4nitrobenzylidene)acetohydrazide
2((4ETHYL5(4METHOXYPHENYL)124TRIAZOL3YL)SULFANYL)N((E)(4NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
2((4ethyl5(4methoxyphenyl)4H124triazol3yl)sulfanyl)N((E)(4nitrophenyl)methylidene)acetohydrazide
303102832
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=C(C=C2)(N+)(=O)(O))C3=CC=C(C=C3)OC
COc1ccc(cc1)c1nnc(n1CC)SCC(=O)NN=Cc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H20N6O4Sc132519(1561017(302)11715)232420(25)311318(27)222112144816(9514)26(28)29h412H313H212H3(H2227)b2112+
MFCD02021930
N((1E)2(4NITROPHENYL)1AZAVINYL)2(4ETHYL5(4METHOXYPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
ZINC000002329193
ZINC33361166

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Available files

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