Vitas-M small molecule compound

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

Catalog ID
STK779209
SMILES COC(=O)c1cccc(c1)OCC(=O)Nc1nn(nc1C(=O)N)c1ccccc1

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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 C19H17N5O5 MW 395.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N5O5/c1-28-19(27)12-6-5-9-14(10-12)29-11-15(25)21-18-16(17(20)26)22-24(23-18)13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H2,20,26)(H,21,23,25)
InChIKey
NNKANYXIIPQFJN-UHFFFAOYSA-N
Synonyms

COC(=O)C1=CC(=CC=C1)OCC(=O)NC2=NN(N=C2C(=O)N)C3=CC=CC=C3
InChI=1SC19H17N5O5c12819(27)1265914(1012)291115(25)211816(17(20)26)2224(2318)137324813h210H11H21H3(H22026)(H212325)
methyl3(2((5carbamoyl2phenyl2H123triazol4yl)amino)2oxoethoxy)benzoate
METHYL3(2((5CARBAMOYL2PHENYLTRIAZOL4YL)AMINO)2OXOETHOXY)BENZOATE
MFCD05858198
ZINC000001429000
ZINC01429000
ZINC1429000

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Available files

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