Vitas-M small molecule compound

methyl 4-({[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetyl}amino)benzoate

Catalog ID
STK743458
SMILES COC(=O)c1ccc(cc1)NC(=O)Cn1c(nc2c1cccc2)c1nonc1N

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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 C19H16N6O4 MW 392.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N6O4/c1-28-19(27)11-6-8-12(9-7-11)21-15(26)10-25-14-5-3-2-4-13(14)22-18(25)16-17(20)24-29-23-16/h2-9H,10H2,1H3,(H2,20,24)(H,21,26)
InChIKey
POKBUIFCHQMMQY-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C2C4=NON=C4N
InChI=1SC19H16N6O4c12819(27)116812(9711)2115(26)102514532413(14)2218(25)1617(20)24292316h29H10H21H3(H22024)(H2126)
methyl4(((2(4amino125oxadiazol3yl)1Hbenzimidazol1yl)acetyl)amino)benzoate
METHYL4((2(2(4AMINO125OXADIAZOL3YL)BENZIMIDAZOL1YL)ACETYL)AMINO)BENZOATE
MFCD03855069
ZINC000000679615
ZINC00679615
ZINC679615

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Available files

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