Vitas-M small molecule compound

2-{(E)-[2-({[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoic acid

Catalog ID
STL334777
SMILES COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)N/N=C/c1ccccc1C(=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 C22H23N5O5S MW 469.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N5O5S/c1-4-27-20(14-9-10-17(31-2)18(11-14)32-3)25-26-22(27)33-13-19(28)24-23-12-15-7-5-6-8-16(15)21(29)30/h5-12H,4,13H2,1-3H3,(H,24,28)(H,29,30)/b23-12+
InChIKey
FFYZDUPTNMOHII-FSJBWODESA-N
Synonyms
489442-55-9
(E)2((2(2((5(34dimethoxyphenyl)4ethyl4H124triazol3yl)thio)acetyl)hydrazono)methyl)benzoicacid
2((1E)2(2(5(34DIMETHOXYPHENYL)4ETHYL(124TRIAZOL3YLTHIO))ACETYLAMINO)2AZAVINYL)BENZOICACID
2((E)((2((5(34DIMETHOXYPHENYL)4ETHYL124TRIAZOL3YL)SULFANYL)ACETYL)HYDRAZINYLIDENE)METHYL)BENZOICACID
2((E)(2(((5(34dimethoxyphenyl)4ethyl4H124triazol3yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoicacid
489442559
CCN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2C(=O)O)C3=CC(=C(C=C3)OC)OC
COc1cc(ccc1OC)c1nnc(n1CC)SCC(=O)NN=Cc1ccccc1C(=O)O
InChI=1SC22H23N5O5Sc142720(1491017(312)18(1114)323)252622(27)331319(28)24231215756816(15)21(29)30h512H413H213H3(H2428)(H2930)b2312+
MFCD03218491
ZINC000002273061
ZINC33352056

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Available files

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