Vitas-M small molecule compound

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

Catalog ID
STK103954
SMILES CCn1c(SCC(=O)N/N=C\c2cc(ccc2Cl)[N+](=O)[O-])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 C20H19ClN6O3S MW 458.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN6O3S/c1-3-26-19(14-6-4-13(2)5-7-14)24-25-20(26)31-12-18(28)23-22-11-15-10-16(27(29)30)8-9-17(15)21/h4-11H,3,12H2,1-2H3,(H,23,28)/b22-11-
InChIKey
JBNHDXRIVMVZHA-JJFYIABZSA-N
Synonyms

(E)N(2chloro5nitrobenzylidene)2((4ethyl5(ptolyl)4H124triazol3yl)thio)acetohydrazide
CCN1C(=NN=C1SCC(=O)NN=CC2=C(C=CC(=C2)(N+)(=O)(O))Cl)C3=CC=C(C=C3)C
CCn1c(SCC(=O)NN=Cc2cc(ccc2Cl)(N+)(=O)(O))nnc1c1ccc(cc1)C
InChI=1SC20H19ClN6O3Sc132619(146413(2)5714)242520(26)311218(28)232211151016(27(29)30)8917(15)21h411H312H212H3(H2328)b2211
MFCD03219500
N((1Z)2(2CHLORO5NITROPHENYL)1AZAVINYL)2(4ETHYL5(4METHYLPHENYL)(124TRIAZOL3YLTHIO))ACETAMIDE
N((Z)(2CHLORO5NITROPHENYL)METHYLIDENE)2((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)ACETOHYDRAZIDE
N((Z)(2CHLORO5NITROPHENYL)METHYLIDENEAMINO)2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)ACETAMIDE
ZINC000012464129
ZINC09019699
ZINC9019699

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Available files

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