Vitas-M small molecule compound

ethyl (2E)-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}[2-(3-methylphenyl)hydrazinylidene]ethanoate

Catalog ID
STK615125
SMILES CCOC(=O)/C(=N\Nc1cccc(c1)C)/Sc1nnc(n1C)c1ccc(cc1)OC

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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 C21H23N5O3S MW 425.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N5O3S/c1-5-29-20(27)19(24-22-16-8-6-7-14(2)13-16)30-21-25-23-18(26(21)3)15-9-11-17(28-4)12-10-15/h6-13,22H,5H2,1-4H3/b24-19+
InChIKey
AYIGIQVRKPUTQF-LYBHJNIJSA-N
Synonyms
668439-07-4
(E)ethyl2((5(4methoxyphenyl)4methyl4H124triazol3yl)thio)2(2(mtolyl)hydrazono)acetate
668439074
CCOC(=O)C(=NNC1=CC=CC(=C1)C)SC2=NN=C(N2C)C3=CC=C(C=C3)OC
CCOC(=O)C(=NNc1cccc(c1)C)Sc1nnc(n1C)c1ccc(cc1)OC
ethyl(2E)((5(4methoxyphenyl)4methyl4H124triazol3yl)sulfanyl)(2(3methylphenyl)hydrazinylidene)ethanoate
ETHYL(2E)2((5(4METHOXYPHENYL)4METHYL124TRIAZOL3YL)SULFANYL)2((3METHYLPHENYL)HYDRAZINYLIDENE)ACETATE
InChI=1SC21H23N5O3Sc152920(27)19(24221686714(2)1316)3021252318(26(21)3)1591117(284)121015h61322H5H214H3b2419+
MFCD03670486
ZINC000009075390
ZINC33350243

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Available files

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