Vitas-M small molecule compound

methyl 2-({[(1-phenyl-1H-benzimidazol-2-yl)sulfanyl]acetyl}amino)benzoate

Catalog ID
STK131411
SMILES COC(=O)c1ccccc1NC(=O)CSc1nc2c(n1c1ccccc1)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 C23H19N3O3S MW 417.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O3S/c1-29-22(28)17-11-5-6-12-18(17)24-21(27)15-30-23-25-19-13-7-8-14-20(19)26(23)16-9-3-2-4-10-16/h2-14H,15H2,1H3,(H,24,27)
InChIKey
HRPAHCVMNPFTDF-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3N2C4=CC=CC=C4
InChI=1SC23H19N3O3Sc12922(28)1711561218(17)2421(27)153023251913781420(19)26(23)1693241016h214H15H21H3(H2427)
METHYL2((((1PHENYL1HBENZIMIDAZOL2YL)SULFANYL)ACETYL)AMINO)BENZOATE
METHYL2((2(1PHENYLBENZIMIDAZOL2YL)SULFANYLACETYL)AMINO)BENZOATE
METHYL2(2(1PHENYLBENZIMIDAZOL2YLTHIO)ACETYLAMINO)BENZOATE
MFCD02853035
ZINC000000717101
ZINC00717101
ZINC717101

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Available files

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