Vitas-M small molecule compound

ethyl 5-(2-oxo-2-phenylethoxy)-1-{[(Z)-phenylmethylidene]amino}-1H-1,2,3-triazole-4-carboxylate

Catalog ID
STL446040
SMILES CCOC(=O)c1nnn(c1OCC(=O)c1ccccc1)/N=C\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 C20H18N4O4 MW 378.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O4/c1-2-27-20(26)18-19(28-14-17(25)16-11-7-4-8-12-16)24(23-22-18)21-13-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3/b21-13-
InChIKey
FBVULSUADBSHBQ-BKUYFWCQSA-N
Synonyms

CCOC(=O)C1=C(N(N=N1)N=CC2=CC=CC=C2)OCC(=O)C3=CC=CC=C3
CCOC(=O)c1nnn(c1OCC(=O)c1ccccc1)N=Cc1ccccc1
ETHYL1((Z)BENZYLIDENEAMINO)5PHENACYLOXYTRIAZOLE4CARBOXYLATE
ethyl5(2oxo2phenylethoxy)1(((Z)phenylmethylidene)amino)1H123triazole4carboxylate
InChI=1SC20H18N4O4c122720(26)1819(281417(25)16117481216)24(232218)21131595361015h313H214H21H3b2113
MFCD06242794
ZINC000033337972
ZINC1417756

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Available files

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