Vitas-M small molecule compound

methyl 4-{(E)-[2-({[1-(4-methylbenzyl)-1H-benzimidazol-2-yl]sulfanyl}acetyl)hydrazinylidene]methyl}benzoate

Catalog ID
STL362135
SMILES COC(=O)c1ccc(cc1)/C=N/NC(=O)CSc1nc2c(n1Cc1ccc(cc1)C)cccc2

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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 C26H24N4O3S MW 472.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H24N4O3S/c1-18-7-9-20(10-8-18)16-30-23-6-4-3-5-22(23)28-26(30)34-17-24(31)29-27-15-19-11-13-21(14-12-19)25(32)33-2/h3-15H,16-17H2,1-2H3,(H,29,31)/b27-15+
InChIKey
JHAVUIUOBBOFIW-JFLMPSFJSA-N
Synonyms
304450-79-1
(E)methyl4((2(2((1(4methylbenzyl)1Hbenzo(d)imidazol2yl)thio)acetyl)hydrazono)methyl)benzoate
304450791
CC1=CC=C(C=C1)CN2C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=C(C=C4)C(=O)OC
COC(=O)c1ccc(cc1)C=NNC(=O)CSc1nc2c(n1Cc1ccc(cc1)C)cccc2
InChI=1SC26H24N4O3Sc1187920(10818)163023643522(23)2826(30)341724(31)29271519111321(141219)25(32)332h315H1617H212H3(H2931)b2715+
METHYL4((1E)2(2(1((4METHYLPHENYL)METHYL)BENZIMIDAZOL2YLTHIO)ACETYLAMINO)2AZAVINYL)BENZOATE
methyl4((E)((2(1((4methylphenyl)methyl)benzimidazol2yl)sulfanylacetyl)hydrazinylidene)methyl)benzoate
methyl4((E)(2(((1(4methylbenzyl)1Hbenzimidazol2yl)sulfanyl)acetyl)hydrazinylidene)methyl)benzoate
MFCD01915840
ZINC000013205516
ZINC33726485

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Available files

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