Vitas-M small molecule compound
diethyl 1-{2-[benzyl(4-chlorophenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL094461
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N(c1ccc(cc1)Cl)Cc1ccccc1
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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 C23H23ClN4O5 MW 470.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23ClN4O5/c1-3-32-22(30)20-21(23(31)33-4-2)28(26-25-20)15-19(29)27(14-16-8-6-5-7-9-16)18-12-10-17(24)11-13-18/h5-13H,3-4,14-15H2,1-2H3InChIKey
RMPQVBVOPGGJNP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)CC(=O)N(CC2=CC=CC=C2)C3=CC=C(C=C3)Cl)C(=O)OCC
diethyl1(2(benzyl(4chlorophenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
diethyl1(2(Nbenzyl4chloroanilino)2oxoethyl)triazole45dicarboxylate
InChI=1SC23H23ClN4O5c133222(30)2021(23(31)3342)28(262520)1519(29)27(14168657916)18121017(24)111318h513H341415H212H3
MFCD14726416
ZINC000009938824
ZINC9938824
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