Vitas-M small molecule compound

ethyl 4-[({4-[(2,3-dimethylphenyl)carbamoyl]-5-methyl-1H-1,2,3-triazol-1-yl}acetyl)amino]benzoate

Catalog ID
STL129887
SMILES CCOC(=O)c1ccc(cc1)NC(=O)Cn1nnc(c1C)C(=O)Nc1cccc(c1C)C

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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 C23H25N5O4 MW 435.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O4/c1-5-32-23(31)17-9-11-18(12-10-17)24-20(29)13-28-16(4)21(26-27-28)22(30)25-19-8-6-7-14(2)15(19)3/h6-12H,5,13H2,1-4H3,(H,24,29)(H,25,30)
InChIKey
VQKXVWGMJIDIES-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=C(N=N2)C(=O)NC3=CC=CC(=C3C)C)C
ethyl4(((4((23dimethylphenyl)carbamoyl)5methyl1H123triazol1yl)acetyl)amino)benzoate
ethyl4((2(4((23dimethylphenyl)carbamoyl)5methyltriazol1yl)acetyl)amino)benzoate
InChI=1SC23H25N5O4c153223(31)1791118(121017)2420(29)132816(4)21(262728)22(30)251986714(2)15(19)3h612H513H214H3(H2429)(H2530)
MFCD20748033
ZINC000067323214
ZINC67323214

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Available files

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