Vitas-M small molecule compound

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

Catalog ID
STK997696
SMILES COC(=O)/C(=N\Nc1ccccc1[N+](=O)[O-])/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 C23H18N6O4S MW 474.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N6O4S/c1-33-22(30)21(26-24-18-14-8-9-15-19(18)29(31)32)34-23-27-25-20(16-10-4-2-5-11-16)28(23)17-12-6-3-7-13-17/h2-15,24H,1H3/b26-21+
InChIKey
QMLCCFUSLODYSQ-YYADALCUSA-N
Synonyms
669761-33-5
(E)methyl2((45diphenyl4H124triazol3yl)thio)2(2(2nitrophenyl)hydrazono)acetate
669761335
COC(=O)C(=NNC1=CC=CC=C1(N+)(=O)(O))SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4
COC(=O)C(=NNc1ccccc1(N+)(=O)(O))Sc1nnc(n1c1ccccc1)c1ccccc1
InChI=1SC23H18N6O4Sc13322(30)21(26241814891519(18)29(31)32)3423272520(16104251116)28(23)17126371317h21524H1H3b2621+
methyl(2E)((45diphenyl4H124triazol3yl)sulfanyl)(2(2nitrophenyl)hydrazinylidene)ethanoate
methyl(2E)2((45diphenyl124triazol3yl)sulfanyl)2((2nitrophenyl)hydrazinylidene)acetate
MFCD03669013
ZINC000009010037
ZINC97464767

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Available files

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