Vitas-M small molecule compound

methyl (2Z)-[2-(3-chlorophenyl)hydrazinylidene][(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Catalog ID
STK551799
SMILES COC(=O)/C(=N/Nc1cccc(c1)Cl)/Sc1nnc(n1c1ccccc1)c1ccccc1

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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 C23H18ClN5O2S MW 463.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18ClN5O2S/c1-31-22(30)21(27-25-18-12-8-11-17(24)15-18)32-23-28-26-20(16-9-4-2-5-10-16)29(23)19-13-6-3-7-14-19/h2-15,25H,1H3/b27-21-
InChIKey
NUQFKJAHJFETQM-MEFGMAGPSA-N
Synonyms
668439-02-9
(Z)methyl2(2(3chlorophenyl)hydrazono)2((45diphenyl4H124triazol3yl)thio)acetate
668439029
COC(=O)C(=NNC1=CC(=CC=C1)Cl)SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4
COC(=O)C(=NNc1cccc(c1)Cl)Sc1nnc(n1c1ccccc1)c1ccccc1
InChI=1SC23H18ClN5O2Sc13122(30)21(2725181281117(24)1518)3223282620(1694251016)29(23)19136371419h21525H1H3b2721
methyl(2Z)(2(3chlorophenyl)hydrazinylidene)((45diphenyl4H124triazol3yl)sulfanyl)ethanoate
METHYL(2Z)2((3CHLOROPHENYL)HYDRAZINYLIDENE)2((45DIPHENYL124TRIAZOL3YL)SULFANYL)ACETATE
MFCD03671163
ZINC000002203418
ZINC16189556

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Available files

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