Vitas-M small molecule compound
diethyl 1-{2-[benzyl(3-chloro-4-methylphenyl)amino]-2-oxoethyl}-1H-1,2,3-triazole-4,5-dicarboxylate
Catalog ID
STL124755
SMILES CCOC(=O)c1n(nnc1C(=O)OCC)CC(=O)N(c1ccc(c(c1)Cl)C)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 C24H25ClN4O5 MW 484.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN4O5/c1-4-33-23(31)21-22(24(32)34-5-2)29(27-26-21)15-20(30)28(14-17-9-7-6-8-10-17)18-12-11-16(3)19(25)13-18/h6-13H,4-5,14-15H2,1-3H3InChIKey
CBTNNDGWSHQSCU-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(N=N1)CC(=O)N(CC2=CC=CC=C2)C3=CC(=C(C=C3)C)Cl)C(=O)OCC
diethyl1(2(benzyl(3chloro4methylphenyl)amino)2oxoethyl)1H123triazole45dicarboxylate
diethyl1(2(Nbenzyl3chloro4methylanilino)2oxoethyl)triazole45dicarboxylate
InChI=1SC24H25ClN4O5c143323(31)2122(24(32)3452)29(272621)1520(30)28(141797681017)18121116(3)19(25)1318h613H451415H213H3
MFCD14726434
ZINC000009938891
ZINC9938891
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